epe-cubenol

Compound Structure:

Synonyms:

4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol; Cubenol; epi-Cubenol; 1-epi-Cubenol; 1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol; 10.beta.H-Cadin-4-en-1-ol.

Compound ID:

NMPC-1008

PubChem ID:

519857

Molecular Formula:

C15H26O

Canonical SMILES:

CC1CCC(C2C1(CCC(=C2)C)O)C(C)C

InChIKey:

COGPRPSWSKLKTF-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449 g/mol
Monoisotopic Mass	222.198365449 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Dalbergia saxatilis
Monodora tenuifolia
Solanum nigrum
Eucalyptus tereticornis
Murraya Koenigii

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