4-propan-2-ylidene-1,3-dioxolan-2-one

C6H8O3 — CID 19050565

IUPAC4-propan-2-ylidene-1,3-dioxolan-2-one
SMILESCC(C)=C1COC(=O)O1
InChIInChI=1S/C6H8O3/c1-4(2)5-3-8-6(7)9-5/h3H2,1-2H3
InChIKeyNXECTHPSAHTDMR-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.45
Rot. Bonds

About 4-propan-2-ylidene-1,3-dioxolan-2-one

4-propan-2-ylidene-1,3-dioxolan-2-one (PubChem CID 19050565) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-propan-2-ylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-propan-2-ylidene-1,3-dioxolan-2-one
PubChem CID19050565
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-propan-2-ylidene-1,3-dioxolan-2-one
SMILESCC(C)=C1COC(=O)O1
InChIInChI=1S/C6H8O3/c1-4(2)5-3-8-6(7)9-5/h3H2,1-2H3
InChIKeyNXECTHPSAHTDMR-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-ylidene-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

Related Compounds

Ethylidene ethylene carbonate
CID 68503227
(4E)-4-ethylidene-1,3-dioxolan-2-one
CID 19050566
4-Methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxol-2-one
CID 21138960
Mexartan Potassium Impurity 180
CID 21362368
4-Propan-2-ylidene-1,3-dioxolane
CID 22457292
Mexartan Potassium Impurity 178
CID 67987689
4-Ethylidene-1,3-dioxolan-2-one
CID 68503228
5,6-dimethyl-4H-1,3-dioxin-2-one
CID 69480284
4-Methyl-5-(propoxymethyl)-1,3-dioxol-2-one
CID 89081136
4-Methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one
CID 118584181
methyl [(2Z)-2-(2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate
CID 137512655
Ethane;4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 144218347

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-propan-2-ylidene-1,3-dioxolan-2-one (CID 19050565) is 4-propan-2-ylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-propan-2-ylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-propan-2-ylidene-1,3-dioxolan-2-one is CC(C)=C1COC(=O)O1.
What is the InChIKey of 4-propan-2-ylidene-1,3-dioxolan-2-one?
The InChIKey is NXECTHPSAHTDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4(2)5-3-8-6(7)9-5/h3H2,1-2H3.
What are the key properties of 4-propan-2-ylidene-1,3-dioxolan-2-one?
4-propan-2-ylidene-1,3-dioxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 19050565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).