dodeca-3,6-dien-1-ol

C12H22O — CID 54452301

IUPACdodeca-3,6-dien-1-ol
SMILESCCCCCC=CCC=CCCO
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3
InChIKeyWVTVMLXNKUWGBH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds8

About dodeca-3,6-dien-1-ol

dodeca-3,6-dien-1-ol (PubChem CID 54452301) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is dodeca-3,6-dien-1-ol.

Molecular Properties

Compound Namedodeca-3,6-dien-1-ol
PubChem CID54452301
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namedodeca-3,6-dien-1-ol
SMILESCCCCCC=CCC=CCCO
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3
InChIKeyWVTVMLXNKUWGBH-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Hexenol
CID 5281167
6-Nonen-1-ol, (6Z)-
CID 5362792
2-Octen-1-ol, (2E)-
CID 5318599
5-Decen-1-ol, (5E)-
CID 5283292
3-Nonen-1-ol, (3E)-
CID 5352807
trans-3-Octen-1-ol
CID 5364475
trans-3-Hexen-1-ol
CID 5284503
3-Octen-1-ol, (3Z)-
CID 5364519
3-Nonen-1-ol, (3Z)-
CID 5364631
3,6-Nonadien-1-ol, (3E,6Z)-
CID 44630408
Oct-2-en-1-ol
CID 29060
3,6-Nonadien-1-ol
CID 42011

Frequently Asked Questions

What is the IUPAC name of dodeca-3,6-dien-1-ol?
The IUPAC name of dodeca-3,6-dien-1-ol (CID 54452301) is dodeca-3,6-dien-1-ol.
What is the SMILES notation for dodeca-3,6-dien-1-ol?
The canonical SMILES for dodeca-3,6-dien-1-ol is CCCCCC=CCC=CCCO.
What is the InChIKey of dodeca-3,6-dien-1-ol?
The InChIKey is WVTVMLXNKUWGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3.
What are the key properties of dodeca-3,6-dien-1-ol?
dodeca-3,6-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 dodeca-3,6-dien-1-ol is sourced from PubChem (CID 54452301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).