bicyclo[3.3.2]deca-3,7,9-trien-2-ol

C10H12O — CID 130125118

IUPACbicyclo[3.3.2]deca-3,7,9-trien-2-ol
SMILESOC1C=CC2C=CC1C=CC2
InChIInChI=1S/C10H12O/c11-10-7-5-8-2-1-3-9(10)6-4-8/h1,3-11H,2H2
InChIKeyAMGHQMFPAFGEIZ-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.67
Rot. Bonds

About bicyclo[3.3.2]deca-3,7,9-trien-2-ol

bicyclo[3.3.2]deca-3,7,9-trien-2-ol (PubChem CID 130125118) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is bicyclo[3.3.2]deca-3,7,9-trien-2-ol.

Molecular Properties

Compound Namebicyclo[3.3.2]deca-3,7,9-trien-2-ol
PubChem CID130125118
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Namebicyclo[3.3.2]deca-3,7,9-trien-2-ol
SMILESOC1C=CC2C=CC1C=CC2
InChIInChI=1S/C10H12O/c11-10-7-5-8-2-1-3-9(10)6-4-8/h1,3-11H,2H2
InChIKeyAMGHQMFPAFGEIZ-UHFFFAOYSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.67
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

trans-2-Methyl-4-hexen-3-ol
CID 5366236
2-Methyl-4-hexen-3-ol
CID 145295
(E,3S)-2-methylhex-4-en-3-ol
CID 12867364
(z)-2-Methyl-4-hexen-3-ol
CID 12867361
(E,3R)-2-methylhex-4-en-3-ol
CID 12867362
2,6-Cyclooctadien-1-ol
CID 5366129
(3S,4S,5E)-3-methylnona-1,5-dien-4-ol
CID 10558835
(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol
CID 12703988
(3R,4S,5E)-3-methylnona-1,5-dien-4-ol
CID 13180952
(E)-2-methyloct-4-en-3-ol
CID 15448525
2,6-Dimethylhept-4-en-3-ol
CID 85294890
(E,3R)-2-methyloct-4-en-3-ol
CID 101010833

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.2]deca-3,7,9-trien-2-ol?
The IUPAC name of bicyclo[3.3.2]deca-3,7,9-trien-2-ol (CID 130125118) is bicyclo[3.3.2]deca-3,7,9-trien-2-ol.
What is the SMILES notation for bicyclo[3.3.2]deca-3,7,9-trien-2-ol?
The canonical SMILES for bicyclo[3.3.2]deca-3,7,9-trien-2-ol is OC1C=CC2C=CC1C=CC2.
What is the InChIKey of bicyclo[3.3.2]deca-3,7,9-trien-2-ol?
The InChIKey is AMGHQMFPAFGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-10-7-5-8-2-1-3-9(10)6-4-8/h1,3-11H,2H2.
What are the key properties of bicyclo[3.3.2]deca-3,7,9-trien-2-ol?
bicyclo[3.3.2]deca-3,7,9-trien-2-ol has a molecular weight of 148.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.2]deca-3,7,9-trien-2-ol is sourced from PubChem (CID 130125118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).