1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol

C6H12O5 — CID 130122273

IUPAC1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol
SMILESOCC1COC(C(O)CO)O1
InChIInChI=1S/C6H12O5/c7-1-4-3-10-6(11-4)5(9)2-8/h4-9H,1-3H2
InChIKeyNXYRCQCOBBEWIR-UHFFFAOYSA-N
MW164.16 g/mol
LogP-1.93
Rot. Bonds3

About 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol

1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol (PubChem CID 130122273) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol
PubChem CID130122273
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol
SMILESOCC1COC(C(O)CO)O1
InChIInChI=1S/C6H12O5/c7-1-4-3-10-6(11-4)5(9)2-8/h4-9H,1-3H2
InChIKeyNXYRCQCOBBEWIR-UHFFFAOYSA-N
XLogP-1.93
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol 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 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol (CID 130122273) is 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol is OCC1COC(C(O)CO)O1.
What is the InChIKey of 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol?
The InChIKey is NXYRCQCOBBEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c7-1-4-3-10-6(11-4)5(9)2-8/h4-9H,1-3H2.
What are the key properties of 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol?
1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol has a molecular weight of 164.16 g/mol, XLogP of -1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 130122273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).