2-hexyl-3-hydroxydecanal

C16H32O2 — CID 14045864

IUPAC2-hexyl-3-hydroxydecanal
SMILESCCCCCCCC(O)C(C=O)CCCCCC
InChIInChI=1S/C16H32O2/c1-3-5-7-9-11-13-16(18)15(14-17)12-10-8-6-4-2/h14-16,18H,3-13H2,1-2H3
InChIKeyLSHBKDIMAGRTOT-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.49
Rot. Bonds13

About 2-hexyl-3-hydroxydecanal

2-hexyl-3-hydroxydecanal (PubChem CID 14045864) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-hexyl-3-hydroxydecanal.

Molecular Properties

Compound Name2-hexyl-3-hydroxydecanal
PubChem CID14045864
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-hexyl-3-hydroxydecanal
SMILESCCCCCCCC(O)C(C=O)CCCCCC
InChIInChI=1S/C16H32O2/c1-3-5-7-9-11-13-16(18)15(14-17)12-10-8-6-4-2/h14-16,18H,3-13H2,1-2H3
InChIKeyLSHBKDIMAGRTOT-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
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

3-(Hydroxymethyl)-2-octanone
CID 62148
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
3-Hydroxy-16-methyl-heptadecanoic acid
CID 342516
Cyclopentanone, 2-(1-hydroxyheptyl)-
CID 11008912
Valsafungin A
CID 139591374
(2s,3r)-2-Hexyl-3-Hydroxynonanoic Acid
CID 53308656
6-Dodecanone, 5,8-diethyl-7-hydroxy-
CID 169366
Methyl 3-hydroxy-2-tetradecyloctadecanoate
CID 537337
Orlistat metabolite M31
CID 169502243
Hemibourgeanic acid
CID 14753158
29-Hydroxy-3,11-dimethyl-2-nonacosanone
CID 205990
2-n-Tetradecyl-3-hydroxy-stearic acid
CID 12304080

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-hydroxydecanal?
The IUPAC name of 2-hexyl-3-hydroxydecanal (CID 14045864) is 2-hexyl-3-hydroxydecanal.
What is the SMILES notation for 2-hexyl-3-hydroxydecanal?
The canonical SMILES for 2-hexyl-3-hydroxydecanal is CCCCCCCC(O)C(C=O)CCCCCC.
What is the InChIKey of 2-hexyl-3-hydroxydecanal?
The InChIKey is LSHBKDIMAGRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-5-7-9-11-13-16(18)15(14-17)12-10-8-6-4-2/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 2-hexyl-3-hydroxydecanal?
2-hexyl-3-hydroxydecanal has a molecular weight of 256.43 g/mol, XLogP of 4.49, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-hydroxydecanal is sourced from PubChem (CID 14045864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).