(4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol

C16H30O — CID 15013190

IUPAC(4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol
SMILESC=CC(C)(O)/C(=C/CCCCC)CCCCC
InChIInChI=1S/C16H30O/c1-5-8-10-12-14-15(13-11-9-6-2)16(4,17)7-3/h7,14,17H,3,5-6,8-13H2,1-2,4H3/b15-14+
InChIKeyABFSPKNLMCOXRS-CCEZHUSRSA-N
MW238.41 g/mol
LogP5.01
Rot. Bonds10

About (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol

(4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol (PubChem CID 15013190) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol.

Molecular Properties

Compound Name(4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol
PubChem CID15013190
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol
SMILESC=CC(C)(O)/C(=C/CCCCC)CCCCC
InChIInChI=1S/C16H30O/c1-5-8-10-12-14-15(13-11-9-6-2)16(4,17)7-3/h7,14,17H,3,5-6,8-13H2,1-2,4H3/b15-14+
InChIKeyABFSPKNLMCOXRS-CCEZHUSRSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.01
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 (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol?
The IUPAC name of (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol (CID 15013190) is (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol.
What is the SMILES notation for (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol?
The canonical SMILES for (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol is C=CC(C)(O)/C(=C/CCCCC)CCCCC.
What is the InChIKey of (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol?
The InChIKey is ABFSPKNLMCOXRS-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H30O/c1-5-8-10-12-14-15(13-11-9-6-2)16(4,17)7-3/h7,14,17H,3,5-6,8-13H2,1-2,4H3/b15-14+.
What are the key properties of (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol?
(4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol has a molecular weight of 238.41 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-4-pentyldeca-1,4-dien-3-ol is sourced from PubChem (CID 15013190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).