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

C12H24O3 — CID 79450832

IUPAC2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
SMILESCCC(CO)(CO)CCCC1CCCO1
InChIInChI=1S/C12H24O3/c1-2-12(9-13,10-14)7-3-5-11-6-4-8-15-11/h11,13-14H,2-10H2,1H3
InChIKeyADMSZIJSFJDYAE-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.72
Rot. Bonds7

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

2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol (PubChem CID 79450832) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
PubChem CID79450832
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
SMILESCCC(CO)(CO)CCCC1CCCO1
InChIInChI=1S/C12H24O3/c1-2-12(9-13,10-14)7-3-5-11-6-4-8-15-11/h11,13-14H,2-10H2,1H3
InChIKeyADMSZIJSFJDYAE-UHFFFAOYSA-N
XLogP1.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
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
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
2-tetradecyloxolane
CID 10683364

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol (CID 79450832) is 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol is CCC(CO)(CO)CCCC1CCCO1.
What is the InChIKey of 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol?
The InChIKey is ADMSZIJSFJDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-2-12(9-13,10-14)7-3-5-11-6-4-8-15-11/h11,13-14H,2-10H2,1H3.
What are the key properties of 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol?
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol has a molecular weight of 216.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol is sourced from PubChem (CID 79450832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).