carbonic acid;2-ethenyl-1,1-dimethylcyclopropane

C8H14O3 — CID 70348648

IUPACcarbonic acid;2-ethenyl-1,1-dimethylcyclopropane
SMILESC=CC1CC1(C)C.O=C(O)O
InChIInChI=1S/C7H12.CH2O3/c1-4-6-5-7(6,2)3;2-1(3)4/h4,6H,1,5H2,2-3H3;(H2,2,3,4)
InChIKeyHXMOESFAWIAKPM-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.44
Rot. Bonds1

About carbonic acid;2-ethenyl-1,1-dimethylcyclopropane

carbonic acid;2-ethenyl-1,1-dimethylcyclopropane (PubChem CID 70348648) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is carbonic acid;2-ethenyl-1,1-dimethylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;2-ethenyl-1,1-dimethylcyclopropane
PubChem CID70348648
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecarbonic acid;2-ethenyl-1,1-dimethylcyclopropane
SMILESC=CC1CC1(C)C.O=C(O)O
InChIInChI=1S/C7H12.CH2O3/c1-4-6-5-7(6,2)3;2-1(3)4/h4,6H,1,5H2,2-3H3;(H2,2,3,4)
InChIKeyHXMOESFAWIAKPM-UHFFFAOYSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbonic acid;2-ethenyl-1,1-dimethylcyclopropane 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;2-ethenyl-1,1-dimethylcyclopropane?
The IUPAC name of carbonic acid;2-ethenyl-1,1-dimethylcyclopropane (CID 70348648) is carbonic acid;2-ethenyl-1,1-dimethylcyclopropane.
What is the SMILES notation for carbonic acid;2-ethenyl-1,1-dimethylcyclopropane?
The canonical SMILES for carbonic acid;2-ethenyl-1,1-dimethylcyclopropane is C=CC1CC1(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;2-ethenyl-1,1-dimethylcyclopropane?
The InChIKey is HXMOESFAWIAKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CH2O3/c1-4-6-5-7(6,2)3;2-1(3)4/h4,6H,1,5H2,2-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-ethenyl-1,1-dimethylcyclopropane?
carbonic acid;2-ethenyl-1,1-dimethylcyclopropane has a molecular weight of 158.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-ethenyl-1,1-dimethylcyclopropane is sourced from PubChem (CID 70348648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).