(2E,4E)-dodeca-2,4-dien-1-ol

C12H22O — CID 6436491

IUPAC(2E,4E)-dodeca-2,4-dien-1-ol
SMILESCCCCCCC/C=C/C=C/CO
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-11,13H,2-7,12H2,1H3/b9-8+,11-10+
InChIKeyRZDDYVXRTNDWOD-BNFZFUHLSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds8

About (2E,4E)-dodeca-2,4-dien-1-ol

(2E,4E)-dodeca-2,4-dien-1-ol (PubChem CID 6436491) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E,4E)-dodeca-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-dodeca-2,4-dien-1-ol
PubChem CID6436491
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2E,4E)-dodeca-2,4-dien-1-ol
SMILESCCCCCCC/C=C/C=C/CO
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-11,13H,2-7,12H2,1H3/b9-8+,11-10+
InChIKeyRZDDYVXRTNDWOD-BNFZFUHLSA-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 (2E,4E)-dodeca-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-dodeca-2,4-dien-1-ol (CID 6436491) is (2E,4E)-dodeca-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-dodeca-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-dodeca-2,4-dien-1-ol is CCCCCCC/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-dodeca-2,4-dien-1-ol?
The InChIKey is RZDDYVXRTNDWOD-BNFZFUHLSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-11,13H,2-7,12H2,1H3/b9-8+,11-10+.
What are the key properties of (2E,4E)-dodeca-2,4-dien-1-ol?
(2E,4E)-dodeca-2,4-dien-1-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 (2E,4E)-dodeca-2,4-dien-1-ol is sourced from PubChem (CID 6436491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).