2,3-dipentyloctane-1,2,3-triol

C18H38O3 — CID 87058897

IUPAC2,3-dipentyloctane-1,2,3-triol
SMILESCCCCCC(O)(CO)C(O)(CCCCC)CCCCC
InChIInChI=1S/C18H38O3/c1-4-7-10-13-17(20,14-11-8-5-2)18(21,16-19)15-12-9-6-3/h19-21H,4-16H2,1-3H3
InChIKeyUSKZUKZLXAOGEQ-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.18
Rot. Bonds14

About 2,3-dipentyloctane-1,2,3-triol

2,3-dipentyloctane-1,2,3-triol (PubChem CID 87058897) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 2,3-dipentyloctane-1,2,3-triol.

Molecular Properties

Compound Name2,3-dipentyloctane-1,2,3-triol
PubChem CID87058897
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name2,3-dipentyloctane-1,2,3-triol
SMILESCCCCCC(O)(CO)C(O)(CCCCC)CCCCC
InChIInChI=1S/C18H38O3/c1-4-7-10-13-17(20,14-11-8-5-2)18(21,16-19)15-12-9-6-3/h19-21H,4-16H2,1-3H3
InChIKeyUSKZUKZLXAOGEQ-UHFFFAOYSA-N
XLogP4.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.18
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 2,3-dipentyloctane-1,2,3-triol?
The IUPAC name of 2,3-dipentyloctane-1,2,3-triol (CID 87058897) is 2,3-dipentyloctane-1,2,3-triol.
What is the SMILES notation for 2,3-dipentyloctane-1,2,3-triol?
The canonical SMILES for 2,3-dipentyloctane-1,2,3-triol is CCCCCC(O)(CO)C(O)(CCCCC)CCCCC.
What is the InChIKey of 2,3-dipentyloctane-1,2,3-triol?
The InChIKey is USKZUKZLXAOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-4-7-10-13-17(20,14-11-8-5-2)18(21,16-19)15-12-9-6-3/h19-21H,4-16H2,1-3H3.
What are the key properties of 2,3-dipentyloctane-1,2,3-triol?
2,3-dipentyloctane-1,2,3-triol has a molecular weight of 302.50 g/mol, XLogP of 4.18, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipentyloctane-1,2,3-triol is sourced from PubChem (CID 87058897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).