(9E)-dodeca-9,11-dien-3-ol

C12H22O — CID 19708482

IUPAC(9E)-dodeca-9,11-dien-3-ol
SMILESC=C/C=C/CCCCCC(O)CC
InChIInChI=1S/C12H22O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3,5-6,12-13H,1,4,7-11H2,2H3/b6-5+
InChIKeyOZEUSMXTSJPCQI-AATRIKPKSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds8

About (9E)-dodeca-9,11-dien-3-ol

(9E)-dodeca-9,11-dien-3-ol (PubChem CID 19708482) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (9E)-dodeca-9,11-dien-3-ol.

Molecular Properties

Compound Name(9E)-dodeca-9,11-dien-3-ol
PubChem CID19708482
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(9E)-dodeca-9,11-dien-3-ol
SMILESC=C/C=C/CCCCCC(O)CC
InChIInChI=1S/C12H22O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3,5-6,12-13H,1,4,7-11H2,2H3/b6-5+
InChIKeyOZEUSMXTSJPCQI-AATRIKPKSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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 (9E)-dodeca-9,11-dien-3-ol?
The IUPAC name of (9E)-dodeca-9,11-dien-3-ol (CID 19708482) is (9E)-dodeca-9,11-dien-3-ol.
What is the SMILES notation for (9E)-dodeca-9,11-dien-3-ol?
The canonical SMILES for (9E)-dodeca-9,11-dien-3-ol is C=C/C=C/CCCCCC(O)CC.
What is the InChIKey of (9E)-dodeca-9,11-dien-3-ol?
The InChIKey is OZEUSMXTSJPCQI-AATRIKPKSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3,5-6,12-13H,1,4,7-11H2,2H3/b6-5+.
What are the key properties of (9E)-dodeca-9,11-dien-3-ol?
(9E)-dodeca-9,11-dien-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-dodeca-9,11-dien-3-ol is sourced from PubChem (CID 19708482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).