tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol

C12H14O — CID 89358895

IUPACtetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol
SMILESOC1=C2CC(C1)C1C3C=CC(C3)C21
InChIInChI=1S/C12H14O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-8,11-13H,3-5H2
InChIKeyGTFFGKUCCVRMCJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.66
Rot. Bonds

About tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol

tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol (PubChem CID 89358895) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol.

Molecular Properties

Compound Nametetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol
PubChem CID89358895
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Nametetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol
SMILESOC1=C2CC(C1)C1C3C=CC(C3)C21
InChIInChI=1S/C12H14O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-8,11-13H,3-5H2
InChIKeyGTFFGKUCCVRMCJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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'}

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol?
The IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol (CID 89358895) is tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol.
What is the SMILES notation for tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol?
The canonical SMILES for tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol is OC1=C2CC(C1)C1C3C=CC(C3)C21.
What is the InChIKey of tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol?
The InChIKey is GTFFGKUCCVRMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-8,11-13H,3-5H2.
What are the key properties of tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol?
tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol has a molecular weight of 174.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.2.1.13,6.02,7]dodeca-3,9-dien-4-ol is sourced from PubChem (CID 89358895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).