13-methyltetradeca-2,4-dien-5-ol

C15H28O — CID 141163275

IUPAC13-methyltetradeca-2,4-dien-5-ol
SMILESCC=CC=C(O)CCCCCCCC(C)C
InChIInChI=1S/C15H28O/c1-4-5-12-15(16)13-10-8-6-7-9-11-14(2)3/h4-5,12,14,16H,6-11,13H2,1-3H3
InChIKeySLCXWARPVGUCRS-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.39
Rot. Bonds9

About 13-methyltetradeca-2,4-dien-5-ol

13-methyltetradeca-2,4-dien-5-ol (PubChem CID 141163275) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 13-methyltetradeca-2,4-dien-5-ol.

Molecular Properties

Compound Name13-methyltetradeca-2,4-dien-5-ol
PubChem CID141163275
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name13-methyltetradeca-2,4-dien-5-ol
SMILESCC=CC=C(O)CCCCCCCC(C)C
InChIInChI=1S/C15H28O/c1-4-5-12-15(16)13-10-8-6-7-9-11-14(2)3/h4-5,12,14,16H,6-11,13H2,1-3H3
InChIKeySLCXWARPVGUCRS-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 13-methyltetradeca-2,4-dien-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
12-methyltridec-2-en-4-one
CID 123882041
16-methylheptadecanoic acid
CID 87200881
(E)-11-methyldodec-2-ene
CID 134687647
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
3-ethyl-8-methylnon-2-ene
CID 91177846
3,12-dimethyltridec-2-enoic acid
CID 54254777
(Z)-16-methylheptadec-8-enoic acid
CID 10731639

Frequently Asked Questions

What is the IUPAC name of 13-methyltetradeca-2,4-dien-5-ol?
The IUPAC name of 13-methyltetradeca-2,4-dien-5-ol (CID 141163275) is 13-methyltetradeca-2,4-dien-5-ol.
What is the SMILES notation for 13-methyltetradeca-2,4-dien-5-ol?
The canonical SMILES for 13-methyltetradeca-2,4-dien-5-ol is CC=CC=C(O)CCCCCCCC(C)C.
What is the InChIKey of 13-methyltetradeca-2,4-dien-5-ol?
The InChIKey is SLCXWARPVGUCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-5-12-15(16)13-10-8-6-7-9-11-14(2)3/h4-5,12,14,16H,6-11,13H2,1-3H3.
What are the key properties of 13-methyltetradeca-2,4-dien-5-ol?
13-methyltetradeca-2,4-dien-5-ol has a molecular weight of 224.39 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyltetradeca-2,4-dien-5-ol is sourced from PubChem (CID 141163275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).