trans-Sesquisabinene hydrate

trans-Sesquisabinene hydrate
Compound Structure:
Synonyms: trans-Sesquisabinene hydrate
Compound ID: NMPC-1559
PubChem ID:

6428444
Molecular Formula: C15H26O
Canonical SMILES: CC(CCC=C(C)C)C12CCC(C1C2)(C)O
InChIKey: IRDFGGRWKUKANK-WUCCLRPBSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

4.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

4

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

303

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Eichhornia crassipes
Download SDF