15-hydroxy-2-methylpentadecanal

C16H32O2 — CID 140839749

IUPAC15-hydroxy-2-methylpentadecanal
SMILESCC(C=O)CCCCCCCCCCCCCO
InChIInChI=1S/C16H32O2/c1-16(15-18)13-11-9-7-5-3-2-4-6-8-10-12-14-17/h15-17H,2-14H2,1H3
InChIKeyAYBDRFMASZTILX-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.49
Rot. Bonds14

About 15-hydroxy-2-methylpentadecanal

15-hydroxy-2-methylpentadecanal (PubChem CID 140839749) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 15-hydroxy-2-methylpentadecanal.

Molecular Properties

Compound Name15-hydroxy-2-methylpentadecanal
PubChem CID140839749
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name15-hydroxy-2-methylpentadecanal
SMILESCC(C=O)CCCCCCCCCCCCCO
InChIInChI=1S/C16H32O2/c1-16(15-18)13-11-9-7-5-3-2-4-6-8-10-12-14-17/h15-17H,2-14H2,1H3
InChIKeyAYBDRFMASZTILX-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.49
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

9-hydroxy-2-methylnonanal
CID 140839746
(2S)-6-hydroxy-2-methylhexanal
CID 129362666
2,9-dimethyldecanal
CID 21437669
2-methyldodecanal
CID 87784106
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal
CID 86639480
(E)-7-methyldec-8-en-1-ol
CID 87112464
2-methylundec-10-enal
CID 547085
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421
14-methyl-15-oxopentadec-2-enoic acid
CID 163045646
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
CID 139263692
4-[bis(6-methoxyhexyl)amino]butan-1-ol;2-decyltetradecanal;2-methylundecanal
CID 171814296

Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-2-methylpentadecanal?
The IUPAC name of 15-hydroxy-2-methylpentadecanal (CID 140839749) is 15-hydroxy-2-methylpentadecanal.
What is the SMILES notation for 15-hydroxy-2-methylpentadecanal?
The canonical SMILES for 15-hydroxy-2-methylpentadecanal is CC(C=O)CCCCCCCCCCCCCO.
What is the InChIKey of 15-hydroxy-2-methylpentadecanal?
The InChIKey is AYBDRFMASZTILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-16(15-18)13-11-9-7-5-3-2-4-6-8-10-12-14-17/h15-17H,2-14H2,1H3.
What are the key properties of 15-hydroxy-2-methylpentadecanal?
15-hydroxy-2-methylpentadecanal has a molecular weight of 256.43 g/mol, XLogP of 4.49, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-2-methylpentadecanal is sourced from PubChem (CID 140839749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).