(2-methyl-1,3-dioxol-4-yl)methanol

C5H8O3 — CID 141070112

IUPAC(2-methyl-1,3-dioxol-4-yl)methanol
SMILESCC1OC=C(CO)O1
InChIInChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h3-4,6H,2H2,1H3
InChIKeyPXVLWFKJPVSXKB-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.21
Rot. Bonds1

About (2-methyl-1,3-dioxol-4-yl)methanol

(2-methyl-1,3-dioxol-4-yl)methanol (PubChem CID 141070112) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2-methyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,3-dioxol-4-yl)methanol
PubChem CID141070112
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2-methyl-1,3-dioxol-4-yl)methanol
SMILESCC1OC=C(CO)O1
InChIInChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h3-4,6H,2H2,1H3
InChIKeyPXVLWFKJPVSXKB-UHFFFAOYSA-N
XLogP0.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methyl-1,3-dioxol-4-yl)methanol 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-methyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2-methyl-1,3-dioxol-4-yl)methanol (CID 141070112) is (2-methyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2-methyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2-methyl-1,3-dioxol-4-yl)methanol is CC1OC=C(CO)O1.
What is the InChIKey of (2-methyl-1,3-dioxol-4-yl)methanol?
The InChIKey is PXVLWFKJPVSXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h3-4,6H,2H2,1H3.
What are the key properties of (2-methyl-1,3-dioxol-4-yl)methanol?
(2-methyl-1,3-dioxol-4-yl)methanol has a molecular weight of 116.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 141070112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).