4-methylundec-3-en-5-ol

C12H24O — CID 54538681

IUPAC4-methylundec-3-en-5-ol
SMILESCCC=C(C)C(O)CCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-10-12(13)11(3)9-5-2/h9,12-13H,4-8,10H2,1-3H3
InChIKeyZBOPZUZYSYDLCI-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.67
Rot. Bonds7

About 4-methylundec-3-en-5-ol

4-methylundec-3-en-5-ol (PubChem CID 54538681) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-methylundec-3-en-5-ol.

Molecular Properties

Compound Name4-methylundec-3-en-5-ol
PubChem CID54538681
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-methylundec-3-en-5-ol
SMILESCCC=C(C)C(O)CCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-10-12(13)11(3)9-5-2/h9,12-13H,4-8,10H2,1-3H3
InChIKeyZBOPZUZYSYDLCI-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 4-methylundec-3-en-5-ol?
The IUPAC name of 4-methylundec-3-en-5-ol (CID 54538681) is 4-methylundec-3-en-5-ol.
What is the SMILES notation for 4-methylundec-3-en-5-ol?
The canonical SMILES for 4-methylundec-3-en-5-ol is CCC=C(C)C(O)CCCCCC.
What is the InChIKey of 4-methylundec-3-en-5-ol?
The InChIKey is ZBOPZUZYSYDLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-7-8-10-12(13)11(3)9-5-2/h9,12-13H,4-8,10H2,1-3H3.
What are the key properties of 4-methylundec-3-en-5-ol?
4-methylundec-3-en-5-ol has a molecular weight of 184.32 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylundec-3-en-5-ol is sourced from PubChem (CID 54538681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).