(5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid

C17H34O4 — CID 24770830

IUPAC(5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid
SMILESCCCCCCCCCCC[C@](O)(CO)CCCC(=O)O
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-13-17(21,15-18)14-11-12-16(19)20/h18,21H,2-15H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyJUQSZYLSJUZCDT-QGZVFWFLSA-N
MW302.46 g/mol
LogP3.89
Rot. Bonds15

About (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid

(5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid (PubChem CID 24770830) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid.

Molecular Properties

Compound Name(5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid
PubChem CID24770830
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name(5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid
SMILESCCCCCCCCCCC[C@](O)(CO)CCCC(=O)O
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-13-17(21,15-18)14-11-12-16(19)20/h18,21H,2-15H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyJUQSZYLSJUZCDT-QGZVFWFLSA-N
XLogP3.89
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid?
The IUPAC name of (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid (CID 24770830) is (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid.
What is the SMILES notation for (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid?
The canonical SMILES for (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid is CCCCCCCCCCC[C@](O)(CO)CCCC(=O)O.
What is the InChIKey of (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid?
The InChIKey is JUQSZYLSJUZCDT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-13-17(21,15-18)14-11-12-16(19)20/h18,21H,2-15H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid?
(5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid has a molecular weight of 302.46 g/mol, XLogP of 3.89, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid is sourced from PubChem (CID 24770830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).