CAS 18031-40-8 | 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)- | CAS Number 18031-40-8

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18031-40-8 | 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)-

CAS No: 18031-40-8 Catalog No: AG0021X3 MDL No:MFCD00001543

Product Description

Catalog Number:

AG0021X3

Chemical Name:

1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)-

CAS Number:

18031-40-8

Molecular Formula:

C10H14O

Molecular Weight:

150.2176

MDL Number:

MFCD00001543

IUPAC Name:

(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

InChI:

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1

InChI Key:

RUMOYJJNUMEFDD-SNVBAGLBSA-N

SMILES:

O=CC1=CC[C@H](CC1)C(=C)C

UNII:

5EL0Y7P6LP

Properties

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.221g/mol

Monoisotopic Mass:

150.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Conformational flexibility in terpenes: vibrational circular dichroism (VCD), infrared and Raman study of S-(-)-perillaldehyde.	The journal of physical chemistry. A 20080828
Opposite stereochemical courses for enzyme-mediated alkene reductions of an enantiomeric substrate pair.	Journal of the American Chemical Society 20080618
Influence of cinnamon and clove essential oils on the D- and z-values of Escherichia coli O157:H7 in apple cider.	Journal of food protection 20070901
Synthesis and biological activity of novel pyranopyrones derived from engineered aromatic polyketides.	ACS chemical biology 20070220
Antibacterial activities of naturally occurring compounds against antibiotic-resistant Bacillus cereus vegetative cells and spores, Escherichia coli, and Staphylococcus aureus.	Journal of food protection 20040801
Carvone and perillaldehyde interfere with the serum-induced formation of filamentous structures in Candida albicans at substantially lower concentrations than those causing significant inhibition of growth.	Journal of natural products 20020701