CAS 348633-12-5 | [(1S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methanol | CAS Number 348633-12-5

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348633-12-5 | [(1S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methanol

CAS No: 348633-12-5 Catalog No: AG01EMMY MDL No:MFCD30267506

Product Description

Catalog Number:

AG01EMMY

Chemical Name:

[(1S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methanol

CAS Number:

348633-12-5

Molecular Formula:

C10H18O

Molecular Weight:

154.2493

MDL Number:

MFCD30267506

IUPAC Name:

[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol

InChI:

InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7?,8-,9-/m0/s1

InChI Key:

LDWAIHWGMRVEFR-NPPUSCPJSA-N

SMILES:

OCC1CC[C@H]2C[C@@H]1C2(C)C

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

154.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

154.253g/mol

Monoisotopic Mass:

154.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Chemical composition of essential oils of Thymus and Mentha species and their antifungal activities.	Molecules (Basel, Switzerland) 20090107
Sedative effect of monoterpene alcohols in mice: a preliminary screening.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20070101
Electrophysiological and behavioral responses of Dendroctonus frontalis (Coleoptera: Curculionidae) to volatiles isolated from conspecifics.	Journal of economic entomology 20051201