5-methylundeca-3,4-dien-1-ol

C12H22O — CID 71664600

IUPAC5-methylundeca-3,4-dien-1-ol
SMILESCCCCCCC(C)=C=CCCO
InChIInChI=1S/C12H22O/c1-3-4-5-6-9-12(2)10-7-8-11-13/h7,13H,3-6,8-9,11H2,1-2H3
InChIKeyDXPYQCGMQQCOKS-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.44
Rot. Bonds7

About 5-methylundeca-3,4-dien-1-ol

5-methylundeca-3,4-dien-1-ol (PubChem CID 71664600) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-methylundeca-3,4-dien-1-ol.

Molecular Properties

Compound Name5-methylundeca-3,4-dien-1-ol
PubChem CID71664600
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-methylundeca-3,4-dien-1-ol
SMILESCCCCCCC(C)=C=CCCO
InChIInChI=1S/C12H22O/c1-3-4-5-6-9-12(2)10-7-8-11-13/h7,13H,3-6,8-9,11H2,1-2H3
InChIKeyDXPYQCGMQQCOKS-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

methyl 4-methylundeca-2,3-dienoate
CID 134988395
heptadec-3-en-1-ol
CID 86130004
(E)-heptadec-3-en-1-ol
CID 170849265
octadecan-1-ol;propane
CID 174371095
decane;propan-1-ol
CID 157421705
ethane-1,2-diol;henicosan-2-one
CID 167612528
(E)-3-methyldec-3-en-1-ol
CID 6428571
3-methyldec-3-en-1-ol
CID 78409313
8,9-dimethylhexadec-8-ene
CID 140717938
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795

Frequently Asked Questions

What is the IUPAC name of 5-methylundeca-3,4-dien-1-ol?
The IUPAC name of 5-methylundeca-3,4-dien-1-ol (CID 71664600) is 5-methylundeca-3,4-dien-1-ol.
What is the SMILES notation for 5-methylundeca-3,4-dien-1-ol?
The canonical SMILES for 5-methylundeca-3,4-dien-1-ol is CCCCCCC(C)=C=CCCO.
What is the InChIKey of 5-methylundeca-3,4-dien-1-ol?
The InChIKey is DXPYQCGMQQCOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-6-9-12(2)10-7-8-11-13/h7,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 5-methylundeca-3,4-dien-1-ol?
5-methylundeca-3,4-dien-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylundeca-3,4-dien-1-ol is sourced from PubChem (CID 71664600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).