CAS 4497-92-1 | Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, (1S,6R)- | CAS Number 4497-92-1

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4497-92-1 | Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, (1S,6R)-

CAS No: 4497-92-1 Catalog No: AG001GIB MDL No:MFCD00066416

Product Description

Catalog Number:

AG001GIB

Chemical Name:

Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, (1S,6R)-

CAS Number:

4497-92-1

Molecular Formula:

C10H16

Molecular Weight:

136.2340

MDL Number:

MFCD00066416

IUPAC Name:

(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene

InChI:

InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1

InChI Key:

IBVJWOMJGCHRRW-BDAKNGLRSA-N

SMILES:

CC1=C[C@H]2[C@@H](CC1)C2(C)C

EC Number:

224-792-4

UNII:

4QX1KE38EF

Properties

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

136.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

136.238g/mol

Monoisotopic Mass:

136.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Biotransformation of (1S)-2-carene and (1S)-3-carene by Picea abies suspension culture.	Molecules (Basel, Switzerland) 20111219
Monoterpene-based chiral β-amino acid derivatives prepared from natural sources: syntheses and applications.	Amino acids 20110801
Terpenoid secondary metabolism in Arabidopsis thaliana: cDNA cloning, characterization, and functional expression of a myrcene/(E)-beta-ocimene synthase.	Archives of biochemistry and biophysics 20000315