5-(hydroxymethyl)hexadecanal

C17H34O2 — CID 162787680

IUPAC5-(hydroxymethyl)hexadecanal
SMILESCCCCCCCCCCCC(CO)CCCC=O
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-13-17(16-19)14-11-12-15-18/h15,17,19H,2-14,16H2,1H3
InChIKeyDGQOVQRJYOWTGS-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.89
Rot. Bonds15

About 5-(hydroxymethyl)hexadecanal

5-(hydroxymethyl)hexadecanal (PubChem CID 162787680) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-(hydroxymethyl)hexadecanal.

Molecular Properties

Compound Name5-(hydroxymethyl)hexadecanal
PubChem CID162787680
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name5-(hydroxymethyl)hexadecanal
SMILESCCCCCCCCCCCC(CO)CCCC=O
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-13-17(16-19)14-11-12-15-18/h15,17,19H,2-14,16H2,1H3
InChIKeyDGQOVQRJYOWTGS-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)hexadecanal?
The IUPAC name of 5-(hydroxymethyl)hexadecanal (CID 162787680) is 5-(hydroxymethyl)hexadecanal.
What is the SMILES notation for 5-(hydroxymethyl)hexadecanal?
The canonical SMILES for 5-(hydroxymethyl)hexadecanal is CCCCCCCCCCCC(CO)CCCC=O.
What is the InChIKey of 5-(hydroxymethyl)hexadecanal?
The InChIKey is DGQOVQRJYOWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-13-17(16-19)14-11-12-15-18/h15,17,19H,2-14,16H2,1H3.
What are the key properties of 5-(hydroxymethyl)hexadecanal?
5-(hydroxymethyl)hexadecanal has a molecular weight of 270.46 g/mol, XLogP of 4.89, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)hexadecanal is sourced from PubChem (CID 162787680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).