2-hydroxyhexadecanal

C16H32O2 — CID 18987871

IUPAC2-hydroxyhexadecanal
SMILESCCCCCCCCCCCCCCC(O)C=O
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3
InChIKeyBKBDVQVDRVGXKT-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.64
Rot. Bonds14

About 2-hydroxyhexadecanal

2-hydroxyhexadecanal (PubChem CID 18987871) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-hydroxyhexadecanal.

Molecular Properties

Compound Name2-hydroxyhexadecanal
PubChem CID18987871
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-hydroxyhexadecanal
SMILESCCCCCCCCCCCCCCC(O)C=O
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3
InChIKeyBKBDVQVDRVGXKT-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
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

12-Hydroxystearic acid
CID 7789
10-Hydroxystearic Acid
CID 9561835
3-Hydroxy-2-octanone
CID 6428543
2-Hydroxyhexadecanoic acid
CID 92836
2-Hydroxystearic acid
CID 69417
(S)-3-hydroxytridecan-4-one
CID 24892809
2S-hydroxypalmitic acid
CID 12575964
(S)-2-hydroxystearic acid
CID 439887
2-Hydroxytetracosanoic acid
CID 102430
(2R)-2-hydroxyoctadecanoic acid
CID 439885
9-Hydroxyoctadecanoic Acid
CID 9570127
Octadecanoic acid, 9-hydroxy-, (S)-
CID 9601093

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyhexadecanal?
The IUPAC name of 2-hydroxyhexadecanal (CID 18987871) is 2-hydroxyhexadecanal.
What is the SMILES notation for 2-hydroxyhexadecanal?
The canonical SMILES for 2-hydroxyhexadecanal is CCCCCCCCCCCCCCC(O)C=O.
What is the InChIKey of 2-hydroxyhexadecanal?
The InChIKey is BKBDVQVDRVGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3.
What are the key properties of 2-hydroxyhexadecanal?
2-hydroxyhexadecanal has a molecular weight of 256.43 g/mol, XLogP of 4.64, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyhexadecanal is sourced from PubChem (CID 18987871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).