15-Hydroxy-13-methylpentadecanal

C16H32O2 — CID 53761710

IUPAC15-hydroxy-13-methylpentadecanal
SMILESCC(CCCCCCCCCCCC=O)CCO
InChIInChI=1S/C16H32O2/c1-16(13-15-18)12-10-8-6-4-2-3-5-7-9-11-14-17/h14,16,18H,2-13,15H2,1H3
InChIKeyDIIXSFNIBGOVKP-UHFFFAOYSA-N
MW256.42 g/mol
LogP5.40
Rot. Bonds14

About 15-Hydroxy-13-methylpentadecanal

15-Hydroxy-13-methylpentadecanal (PubChem CID 53761710) has the molecular formula C16H32O2 and a molecular weight of 256.42 g/mol. Its IUPAC name is 15-hydroxy-13-methylpentadecanal.

Molecular Properties

Compound Name15-Hydroxy-13-methylpentadecanal
PubChem CID53761710
Molecular FormulaC16H32O2
Molecular Weight256.42 g/mol
Exact Mass256.24
IUPAC Name15-hydroxy-13-methylpentadecanal
SMILESCC(CCCCCCCCCCCC=O)CCO
InChIInChI=1S/C16H32O2/c1-16(13-15-18)12-10-8-6-4-2-3-5-7-9-11-14-17/h14,16,18H,2-13,15H2,1H3
InChIKeyDIIXSFNIBGOVKP-UHFFFAOYSA-N
XLogP5.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity168

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Butanal, reaction products with 2-ethyl-1-hexanol and 2-methylpropanal
CID 90659610
29-Hydroxy-3,11-dimethyl-2-nonacosanone
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27-Hydroxy-26-methylheptacosanoic acid
CID 54118216
omega-Hydroxyphytanic acid
CID 85985599
6-(2'-Hexyldecanoyloxy)hexan-1-ol
CID 118599849
9,11-Dihydroxy-4-methyldotriacontan-3-one
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28-Hydroxy-6-methyl-5-tritriacontanone
CID 15872108

Frequently Asked Questions

What is the IUPAC name of 15-Hydroxy-13-methylpentadecanal?
The IUPAC name of 15-Hydroxy-13-methylpentadecanal (CID 53761710) is 15-hydroxy-13-methylpentadecanal.
What is the SMILES notation for 15-Hydroxy-13-methylpentadecanal?
The canonical SMILES for 15-Hydroxy-13-methylpentadecanal is CC(CCCCCCCCCCCC=O)CCO.
What is the InChIKey of 15-Hydroxy-13-methylpentadecanal?
The InChIKey is DIIXSFNIBGOVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-16(13-15-18)12-10-8-6-4-2-3-5-7-9-11-14-17/h14,16,18H,2-13,15H2,1H3.
What are the key properties of 15-Hydroxy-13-methylpentadecanal?
15-Hydroxy-13-methylpentadecanal has a molecular weight of 256.42 g/mol, XLogP of 5.40, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-Hydroxy-13-methylpentadecanal is sourced from PubChem (CID 53761710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).