tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol

C11H14O — CID 59471200

IUPACtricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol
SMILESOC1C=CCC2C3C=CC(C3)C12
InChIInChI=1S/C11H14O/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1,3-5,7-12H,2,6H2
InChIKeyXURHAINHCDFHET-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.75
Rot. Bonds

About tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol

tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol (PubChem CID 59471200) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol.

Molecular Properties

Compound Nametricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol
PubChem CID59471200
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Nametricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol
SMILESOC1C=CCC2C3C=CC(C3)C12
InChIInChI=1S/C11H14O/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1,3-5,7-12H,2,6H2
InChIKeyXURHAINHCDFHET-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10331156
3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-1-ol
CID 13024353
4,7-Methano-1H-inden-1-ol, 3a,4,7,7a-tetrahydro-
CID 424033
US20230312476, Example 8
CID 169429086
Tricho-acorenol
CID 139587505
Bicyclo[3.2.1]oct-3-en-2-ol
CID 322667
Bicyclo(2.2.1)hept-5-ene-2-ethanol
CID 548681
1-Hydroxydicyclopentadiene
CID 10898854
alpha-Methylbicyclo(2.2.1)hept-5-ene-2-methanol
CID 114494
rac-(1R,2R,5S,6S)-tricyclo[4.2.1.0,2,5]non-7-en-3-ol
CID 154814300
(1S,2R,3S,6R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 11095196
(1S,2R,3S,6S,7R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 11457766

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol?
The IUPAC name of tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol (CID 59471200) is tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol.
What is the SMILES notation for tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol?
The canonical SMILES for tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol is OC1C=CCC2C3C=CC(C3)C12.
What is the InChIKey of tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol?
The InChIKey is XURHAINHCDFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1,3-5,7-12H,2,6H2.
What are the key properties of tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol?
tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol has a molecular weight of 162.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol is sourced from PubChem (CID 59471200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).