[2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol

C9H16O4 — CID 67886393

IUPAC[2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol
SMILESCCCC=C1OCC(CO)(CO)O1
InChIInChI=1S/C9H16O4/c1-2-3-4-8-12-7-9(5-10,6-11)13-8/h4,10-11H,2-3,5-7H2,1H3
InChIKeyDRLISTAVDZHVIQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.40
Rot. Bonds4

About [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol

[2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 67886393) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID67886393
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol
SMILESCCCC=C1OCC(CO)(CO)O1
InChIInChI=1S/C9H16O4/c1-2-3-4-8-12-7-9(5-10,6-11)13-8/h4,10-11H,2-3,5-7H2,1H3
InChIKeyDRLISTAVDZHVIQ-UHFFFAOYSA-N
XLogP0.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-butylidene-4-(hydroxymethyl)-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 [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol (CID 67886393) is [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol is CCCC=C1OCC(CO)(CO)O1.
What is the InChIKey of [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is DRLISTAVDZHVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-3-4-8-12-7-9(5-10,6-11)13-8/h4,10-11H,2-3,5-7H2,1H3.
What are the key properties of [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol?
[2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 67886393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).