(9Z)-dodeca-9,11-dien-1-ol

C12H22O — CID 13067158

IUPAC(9Z)-dodeca-9,11-dien-1-ol
SMILESC=C/C=C\CCCCCCCCO
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,13H,1,5-12H2/b4-3-
InChIKeyOIMIXJLPIJKPDM-ARJAWSKDSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds9

About (9Z)-dodeca-9,11-dien-1-ol

(9Z)-dodeca-9,11-dien-1-ol (PubChem CID 13067158) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (9Z)-dodeca-9,11-dien-1-ol.

Molecular Properties

Compound Name(9Z)-dodeca-9,11-dien-1-ol
PubChem CID13067158
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(9Z)-dodeca-9,11-dien-1-ol
SMILESC=C/C=C\CCCCCCCCO
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,13H,1,5-12H2/b4-3-
InChIKeyOIMIXJLPIJKPDM-ARJAWSKDSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9Z)-dodeca-9,11-dien-1-ol?
The IUPAC name of (9Z)-dodeca-9,11-dien-1-ol (CID 13067158) is (9Z)-dodeca-9,11-dien-1-ol.
What is the SMILES notation for (9Z)-dodeca-9,11-dien-1-ol?
The canonical SMILES for (9Z)-dodeca-9,11-dien-1-ol is C=C/C=C\CCCCCCCCO.
What is the InChIKey of (9Z)-dodeca-9,11-dien-1-ol?
The InChIKey is OIMIXJLPIJKPDM-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,13H,1,5-12H2/b4-3-.
What are the key properties of (9Z)-dodeca-9,11-dien-1-ol?
(9Z)-dodeca-9,11-dien-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-dodeca-9,11-dien-1-ol is sourced from PubChem (CID 13067158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).