carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one

C8H10O6 — CID 161092576

IUPACcarbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CCC1OC(=O)OC1=C.O=C(O)O
InChIInChI=1S/C7H8O3.CH2O3/c1-3-4-6-5(2)9-7(8)10-6;2-1(3)4/h3,6H,1-2,4H2;(H2,2,3,4)
InChIKeyUHJKAZAKAATZFT-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.83
Rot. Bonds2

About carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one

carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one (PubChem CID 161092576) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Namecarbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one
PubChem CID161092576
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Namecarbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CCC1OC(=O)OC1=C.O=C(O)O
InChIInChI=1S/C7H8O3.CH2O3/c1-3-4-6-5(2)9-7(8)10-6;2-1(3)4/h3,6H,1-2,4H2;(H2,2,3,4)
InChIKeyUHJKAZAKAATZFT-UHFFFAOYSA-N
XLogP1.83
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbonic acid;4-methylidene-5-prop-2-enyl-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 carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one?
The IUPAC name of carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one (CID 161092576) is carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one.
What is the SMILES notation for carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one?
The canonical SMILES for carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one is C=CCC1OC(=O)OC1=C.O=C(O)O.
What is the InChIKey of carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one?
The InChIKey is UHJKAZAKAATZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.CH2O3/c1-3-4-6-5(2)9-7(8)10-6;2-1(3)4/h3,6H,1-2,4H2;(H2,2,3,4).
What are the key properties of carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one?
carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one has a molecular weight of 202.16 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-methylidene-5-prop-2-enyl-1,3-dioxolan-2-one is sourced from PubChem (CID 161092576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).