cis-chrysanthenyl formate

cis-chrysanthenyl formate
Compound Structure:
Synonyms: cis-Chrysanthenyl formate;Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, 6-formate, (1R,5S,6S)-rel-;Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, formate, (1R,5S,6S)-rel-
Compound ID: NMPC-763
PubChem ID:

91710482
Molecular Formula: C11H16O2
Canonical SMILES: CC1=CCC2C(C1C2(C)C)OC=O
InChIKey: UUPONGFJZWADRE-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

180.24 g/mol

XLogP3-AA

2.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

180.115029749 g/mol

Monoisotopic Mass

180.115029749 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

265

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                             
Source Species: Eucalyptus tereticornis
Download SDF