5,9-Dimethyl-9-decen-3-ol

C12H24O — CID 535090

IUPAC5,9-dimethyldec-9-en-3-ol
SMILESCCC(CC(C)CCCC(=C)C)O
InChIInChI=1S/C12H24O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h11-13H,2,5-9H2,1,3-4H3
InChIKeyCNGGPKWJEPGPQH-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.50
Rot. Bonds7

About 5,9-Dimethyl-9-decen-3-ol

5,9-Dimethyl-9-decen-3-ol (PubChem CID 535090) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5,9-dimethyldec-9-en-3-ol.

Molecular Properties

Compound Name5,9-Dimethyl-9-decen-3-ol
PubChem CID535090
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5,9-dimethyldec-9-en-3-ol
SMILESCCC(CC(C)CCCC(=C)C)O
InChIInChI=1S/C12H24O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h11-13H,2,5-9H2,1,3-4H3
InChIKeyCNGGPKWJEPGPQH-UHFFFAOYSA-N
XLogP4.50
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,9-Dimethyl-9-decen-3-ol?
The IUPAC name of 5,9-Dimethyl-9-decen-3-ol (CID 535090) is 5,9-dimethyldec-9-en-3-ol.
What is the SMILES notation for 5,9-Dimethyl-9-decen-3-ol?
The canonical SMILES for 5,9-Dimethyl-9-decen-3-ol is CCC(CC(C)CCCC(=C)C)O.
What is the InChIKey of 5,9-Dimethyl-9-decen-3-ol?
The InChIKey is CNGGPKWJEPGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of 5,9-Dimethyl-9-decen-3-ol?
5,9-Dimethyl-9-decen-3-ol has a molecular weight of 184.32 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-Dimethyl-9-decen-3-ol is sourced from PubChem (CID 535090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).