(E)-3-methylundec-4-en-1-ol

C12H24O — CID 121006781

IUPAC(E)-3-methylundec-4-en-1-ol
SMILESCCCCCC/C=C/C(C)CCO
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+
InChIKeyGNPJAMJCWSCXEQ-CMDGGOBGSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds8

About (E)-3-methylundec-4-en-1-ol

(E)-3-methylundec-4-en-1-ol (PubChem CID 121006781) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E)-3-methylundec-4-en-1-ol.

Molecular Properties

Compound Name(E)-3-methylundec-4-en-1-ol
PubChem CID121006781
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E)-3-methylundec-4-en-1-ol
SMILESCCCCCC/C=C/C(C)CCO
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+
InChIKeyGNPJAMJCWSCXEQ-CMDGGOBGSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
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

(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
7-methylhexadec-5-ene
CID 150059561
3-methyltetradec-4-ene
CID 123180851
(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol
CID 5364412
(E)-3-methyldec-4-ene
CID 5364642
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
3-methyltetradec-5-en-1-ol
CID 141478890
undec-3-en-2-ol
CID 174515693

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylundec-4-en-1-ol?
The IUPAC name of (E)-3-methylundec-4-en-1-ol (CID 121006781) is (E)-3-methylundec-4-en-1-ol.
What is the SMILES notation for (E)-3-methylundec-4-en-1-ol?
The canonical SMILES for (E)-3-methylundec-4-en-1-ol is CCCCCC/C=C/C(C)CCO.
What is the InChIKey of (E)-3-methylundec-4-en-1-ol?
The InChIKey is GNPJAMJCWSCXEQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+.
What are the key properties of (E)-3-methylundec-4-en-1-ol?
(E)-3-methylundec-4-en-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylundec-4-en-1-ol is sourced from PubChem (CID 121006781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).