Thujopsan-2-α-ol

Thujopsan-2-α-ol
Compound Structure:
Synonyms: Thujopsan-2-.alpha.-ol
Compound ID: NMPC-1533
PubChem ID:

6428421
Molecular Formula: C15H26O
Canonical SMILES: CC1(CCCC2(C13CC3C(CC2)(C)O)C)C
InChIKey: YTLMZAPWDFQBAI-LSULYJRZSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

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

334

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

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: Phyllanthus muellerianus
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