4-hexyl-5-methylidene-1,3-dioxolan-2-one

C10H16O3 — CID 101420779

IUPAC4-hexyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCCCCC
InChIInChI=1S/C10H16O3/c1-3-4-5-6-7-9-8(2)12-10(11)13-9/h9H,2-7H2,1H3
InChIKeyWZTDZBPHPGLAPF-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.01
Rot. Bonds5

About 4-hexyl-5-methylidene-1,3-dioxolan-2-one

4-hexyl-5-methylidene-1,3-dioxolan-2-one (PubChem CID 101420779) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-hexyl-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-hexyl-5-methylidene-1,3-dioxolan-2-one
PubChem CID101420779
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-hexyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCCCCC
InChIInChI=1S/C10H16O3/c1-3-4-5-6-7-9-8(2)12-10(11)13-9/h9H,2-7H2,1H3
InChIKeyWZTDZBPHPGLAPF-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hexyl-5-methylidene-1,3-dioxolan-2-one 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 4-hexyl-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-hexyl-5-methylidene-1,3-dioxolan-2-one (CID 101420779) is 4-hexyl-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-hexyl-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-hexyl-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)OC1CCCCCC.
What is the InChIKey of 4-hexyl-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is WZTDZBPHPGLAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-6-7-9-8(2)12-10(11)13-9/h9H,2-7H2,1H3.
What are the key properties of 4-hexyl-5-methylidene-1,3-dioxolan-2-one?
4-hexyl-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 101420779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).