4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol

C17H34O4 — CID 163079248

IUPAC4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol
SMILESC=CCCCCCCCCC(O)CC(CO)CC(O)CO
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-16(20)11-15(13-18)12-17(21)14-19/h2,15-21H,1,3-14H2
InChIKeyLRAFKVQWVKKBJQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.40
Rot. Bonds15

About 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol

4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol (PubChem CID 163079248) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol.

Molecular Properties

Compound Name4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol
PubChem CID163079248
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol
SMILESC=CCCCCCCCCC(O)CC(CO)CC(O)CO
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-16(20)11-15(13-18)12-17(21)14-19/h2,15-21H,1,3-14H2
InChIKeyLRAFKVQWVKKBJQ-UHFFFAOYSA-N
XLogP2.40
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol?
The IUPAC name of 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol (CID 163079248) is 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol.
What is the SMILES notation for 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol?
The canonical SMILES for 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol is C=CCCCCCCCCC(O)CC(CO)CC(O)CO.
What is the InChIKey of 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol?
The InChIKey is LRAFKVQWVKKBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-16(20)11-15(13-18)12-17(21)14-19/h2,15-21H,1,3-14H2.
What are the key properties of 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol?
4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol has a molecular weight of 302.46 g/mol, XLogP of 2.40, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)hexadec-15-ene-1,2,6-triol is sourced from PubChem (CID 163079248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).