2,2-bis(ethenyl)cyclopropane-1-carboxylic acid

C8H10O2 — CID 53483524

IUPAC2,2-bis(ethenyl)cyclopropane-1-carboxylic acid
SMILESC=CC1(C=C)CC1C(=O)O
InChIInChI=1S/C8H10O2/c1-3-8(4-2)5-6(8)7(9)10/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyDVYNTRNLIKLALI-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.45
Rot. Bonds3

About 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid

2,2-bis(ethenyl)cyclopropane-1-carboxylic acid (PubChem CID 53483524) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-bis(ethenyl)cyclopropane-1-carboxylic acid
PubChem CID53483524
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2,2-bis(ethenyl)cyclopropane-1-carboxylic acid
SMILESC=CC1(C=C)CC1C(=O)O
InChIInChI=1S/C8H10O2/c1-3-8(4-2)5-6(8)7(9)10/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyDVYNTRNLIKLALI-UHFFFAOYSA-N
XLogP1.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Decamethrinic acid
CID 12525236
Deltamethrinic acid
CID 10924480
rac-(1R,2S)-2-ethenylcyclopropane-1-carboxylic acid
CID 12261402
3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 181248
2,2-Dimethyl-5-hexenoic acid
CID 10582886
cis-3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12525241
rac-(1R,2R)-2-ethenylcyclopropane-1-carboxylic acid
CID 55300474
2-(1-Ethenylcyclopropyl)acetic acid
CID 67500865
2-Ethenylcyclopropane-1,1-dicarboxylic acid
CID 285934
2,2-Dimethyl-3-vinyl cyclopropane carboxylic
CID 565378
Cyclopropanecarboxylic acid, 2-ethenyl-
CID 10942379
2-Vinyl-2-methylcyclopropane-1-carboxylic acid
CID 12261404

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid (CID 53483524) is 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid is C=CC1(C=C)CC1C(=O)O.
What is the InChIKey of 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid?
The InChIKey is DVYNTRNLIKLALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-8(4-2)5-6(8)7(9)10/h3-4,6H,1-2,5H2,(H,9,10).
What are the key properties of 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid?
2,2-bis(ethenyl)cyclopropane-1-carboxylic acid has a molecular weight of 138.17 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53483524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).