[(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

C8H16O4 — CID 57356564

IUPAC[(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCCC1(C)O[C@@H](CO)[C@H](CO)O1
InChIInChI=1S/C8H16O4/c1-3-8(2)11-6(4-9)7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyJIZFDENKQQMMQA-BQBZGAKWSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds3

About [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 57356564) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID57356564
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name[(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCCC1(C)O[C@@H](CO)[C@H](CO)O1
InChIInChI=1S/C8H16O4/c1-3-8(2)11-6(4-9)7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyJIZFDENKQQMMQA-BQBZGAKWSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-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 [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 57356564) is [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is CCC1(C)O[C@@H](CO)[C@H](CO)O1.
What is the InChIKey of [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is JIZFDENKQQMMQA-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-8(2)11-6(4-9)7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 176.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 57356564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).