dodeca-1,2-dien-4-ol

C12H22O — CID 12670483

IUPACdodeca-1,2-dien-4-ol
SMILESC=C=CC(O)CCCCCCCC
InChIInChI=1S/C12H22O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h10,12-13H,2-3,5-9,11H2,1H3
InChIKeyWEUPPAJYFCIQAM-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.44
Rot. Bonds8

About dodeca-1,2-dien-4-ol

dodeca-1,2-dien-4-ol (PubChem CID 12670483) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is dodeca-1,2-dien-4-ol.

Molecular Properties

Compound Namedodeca-1,2-dien-4-ol
PubChem CID12670483
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namedodeca-1,2-dien-4-ol
SMILESC=C=CC(O)CCCCCCCC
InChIInChI=1S/C12H22O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h10,12-13H,2-3,5-9,11H2,1H3
InChIKeyWEUPPAJYFCIQAM-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodeca-1,2-dien-4-ol?
The IUPAC name of dodeca-1,2-dien-4-ol (CID 12670483) is dodeca-1,2-dien-4-ol.
What is the SMILES notation for dodeca-1,2-dien-4-ol?
The canonical SMILES for dodeca-1,2-dien-4-ol is C=C=CC(O)CCCCCCCC.
What is the InChIKey of dodeca-1,2-dien-4-ol?
The InChIKey is WEUPPAJYFCIQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h10,12-13H,2-3,5-9,11H2,1H3.
What are the key properties of dodeca-1,2-dien-4-ol?
dodeca-1,2-dien-4-ol has a molecular weight of 182.31 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,2-dien-4-ol is sourced from PubChem (CID 12670483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).