3-methylpentadec-14-en-5-ol

C16H32O — CID 10823994

IUPAC3-methylpentadec-14-en-5-ol
SMILESC=CCCCCCCCCC(O)CC(C)CC
InChIInChI=1S/C16H32O/c1-4-6-7-8-9-10-11-12-13-16(17)14-15(3)5-2/h4,15-17H,1,5-14H2,2-3H3
InChIKeyGLMDHNMELRYGGQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.09
Rot. Bonds12

About 3-methylpentadec-14-en-5-ol

3-methylpentadec-14-en-5-ol (PubChem CID 10823994) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-methylpentadec-14-en-5-ol.

Molecular Properties

Compound Name3-methylpentadec-14-en-5-ol
PubChem CID10823994
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name3-methylpentadec-14-en-5-ol
SMILESC=CCCCCCCCCC(O)CC(C)CC
InChIInChI=1S/C16H32O/c1-4-6-7-8-9-10-11-12-13-16(17)14-15(3)5-2/h4,15-17H,1,5-14H2,2-3H3
InChIKeyGLMDHNMELRYGGQ-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.09
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

14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465
3-methyldodec-11-en-5-amine
CID 107011856
3-methyltridecan-5-ol
CID 13025106
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
(2R,4R)-nonadec-18-ene-1,2,4-triol
CID 171749801
12-hydroxy-14-methylheptadec-16-enal
CID 88754247
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
(3S,5R)-5-methylnon-8-en-3-ol
CID 129386423
2,13-dimethylpentadecan-4-ol
CID 176880167
8-methylnonadec-1-ene
CID 90877384

Frequently Asked Questions

What is the IUPAC name of 3-methylpentadec-14-en-5-ol?
The IUPAC name of 3-methylpentadec-14-en-5-ol (CID 10823994) is 3-methylpentadec-14-en-5-ol.
What is the SMILES notation for 3-methylpentadec-14-en-5-ol?
The canonical SMILES for 3-methylpentadec-14-en-5-ol is C=CCCCCCCCCC(O)CC(C)CC.
What is the InChIKey of 3-methylpentadec-14-en-5-ol?
The InChIKey is GLMDHNMELRYGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-6-7-8-9-10-11-12-13-16(17)14-15(3)5-2/h4,15-17H,1,5-14H2,2-3H3.
What are the key properties of 3-methylpentadec-14-en-5-ol?
3-methylpentadec-14-en-5-ol has a molecular weight of 240.43 g/mol, XLogP of 5.09, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentadec-14-en-5-ol is sourced from PubChem (CID 10823994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).