2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol

C13H26O3 — CID 79450280

IUPAC2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)CCCC1CCCO1
InChIInChI=1S/C13H26O3/c1-2-7-13(10-14,11-15)8-3-5-12-6-4-9-16-12/h12,14-15H,2-11H2,1H3
InChIKeyJGLIMHYDHXUPOL-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.11
Rot. Bonds8

About 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol

2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol (PubChem CID 79450280) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
PubChem CID79450280
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)CCCC1CCCO1
InChIInChI=1S/C13H26O3/c1-2-7-13(10-14,11-15)8-3-5-12-6-4-9-16-12/h12,14-15H,2-11H2,1H3
InChIKeyJGLIMHYDHXUPOL-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782
2-tetradecyloxolane
CID 10683364
4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate
CID 106507509
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol (CID 79450280) is 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol is CCCC(CO)(CO)CCCC1CCCO1.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol?
The InChIKey is JGLIMHYDHXUPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-2-7-13(10-14,11-15)8-3-5-12-6-4-9-16-12/h12,14-15H,2-11H2,1H3.
What are the key properties of 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol?
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol has a molecular weight of 230.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol is sourced from PubChem (CID 79450280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).