2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol

C7H12O3 — CID 141144505

IUPAC2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
SMILESCC1(C)OC=C(CCO)O1
InChIInChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h5,8H,3-4H2,1-2H3
InChIKeySRTQOAJVCZJQBS-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.99
Rot. Bonds2

About 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol

2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol (PubChem CID 141144505) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
PubChem CID141144505
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
SMILESCC1(C)OC=C(CCO)O1
InChIInChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h5,8H,3-4H2,1-2H3
InChIKeySRTQOAJVCZJQBS-UHFFFAOYSA-N
XLogP0.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol (CID 141144505) is 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol is CC1(C)OC=C(CCO)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
The InChIKey is SRTQOAJVCZJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h5,8H,3-4H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol?
2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol has a molecular weight of 144.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol is sourced from PubChem (CID 141144505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).