(2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one

C15H20O2 — CID 162410672

IUPAC(2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one
SMILESO=C1C=C2CCCC[C@@H]2C2=CC[C@H](O)C[C@@H]1C2
InChIInChI=1S/C15H20O2/c16-13-6-5-11-7-12(8-13)15(17)9-10-3-1-2-4-14(10)11/h5,9,12-14,16H,1-4,6-8H2/t12-,13-,14-/m0/s1
InChIKeyYVVNYOIPGPQMLM-IHRRRGAJSA-N
MW232.32 g/mol
LogP2.77
Rot. Bonds

About (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one

(2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one (PubChem CID 162410672) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one.

Molecular Properties

Compound Name(2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one
PubChem CID162410672
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one
SMILESO=C1C=C2CCCC[C@@H]2C2=CC[C@H](O)C[C@@H]1C2
InChIInChI=1S/C15H20O2/c16-13-6-5-11-7-12(8-13)15(17)9-10-3-1-2-4-14(10)11/h5,9,12-14,16H,1-4,6-8H2/t12-,13-,14-/m0/s1
InChIKeyYVVNYOIPGPQMLM-IHRRRGAJSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one?
The IUPAC name of (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one (CID 162410672) is (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one.
What is the SMILES notation for (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one?
The canonical SMILES for (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one is O=C1C=C2CCCC[C@@H]2C2=CC[C@H](O)C[C@@H]1C2.
What is the InChIKey of (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one?
The InChIKey is YVVNYOIPGPQMLM-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H20O2/c16-13-6-5-11-7-12(8-13)15(17)9-10-3-1-2-4-14(10)11/h5,9,12-14,16H,1-4,6-8H2/t12-,13-,14-/m0/s1.
What are the key properties of (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one?
(2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one has a molecular weight of 232.32 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10S,12S)-12-hydroxytricyclo[8.4.1.02,7]pentadeca-1(14),7-dien-9-one is sourced from PubChem (CID 162410672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).