(2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol

C12H14O — CID 155929165

IUPAC(2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol
SMILESOC1C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21
InChIInChI=1S/C12H14O/c13-12-8-3-4-9(12)11-7-2-1-6(5-7)10(8)11/h1-4,6-13H,5H2/t6?,7?,8?,9?,10-,11+,12?
InChIKeyUDZILGKASQCYGN-QAGDBWTJSA-N
MW174.24 g/mol
LogP1.60
Rot. Bonds

About (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol

(2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol (PubChem CID 155929165) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol.

Molecular Properties

Compound Name(2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol
PubChem CID155929165
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol
SMILESOC1C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21
InChIInChI=1S/C12H14O/c13-12-8-3-4-9(12)11-7-2-1-6(5-7)10(8)11/h1-4,6-13H,5H2/t6?,7?,8?,9?,10-,11+,12?
InChIKeyUDZILGKASQCYGN-QAGDBWTJSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
The IUPAC name of (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol (CID 155929165) is (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol.
What is the SMILES notation for (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
The canonical SMILES for (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol is OC1C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21.
What is the InChIKey of (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
The InChIKey is UDZILGKASQCYGN-QAGDBWTJSA-N. The full InChI is InChI=1S/C12H14O/c13-12-8-3-4-9(12)11-7-2-1-6(5-7)10(8)11/h1-4,6-13H,5H2/t6?,7?,8?,9?,10-,11+,12?.
What are the key properties of (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
(2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol has a molecular weight of 174.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol is sourced from PubChem (CID 155929165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).