ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate

C10H16O2 — CID 565177

IUPACethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CC1C(C(=O)OCC)C1(C)C
InChIInChI=1S/C10H16O2/c1-5-7-8(10(7,3)4)9(11)12-6-2/h5,7-8H,1,6H2,2-4H3
InChIKeyORVPAYHEPQBFFC-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.01
Rot. Bonds3

About ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate

ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 565177) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID565177
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CC1C(C(=O)OCC)C1(C)C
InChIInChI=1S/C10H16O2/c1-5-7-8(10(7,3)4)9(11)12-6-2/h5,7-8H,1,6H2,2-4H3
InChIKeyORVPAYHEPQBFFC-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate (CID 565177) is ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate is C=CC1C(C(=O)OCC)C1(C)C.
What is the InChIKey of ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is ORVPAYHEPQBFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-7-8(10(7,3)4)9(11)12-6-2/h5,7-8H,1,6H2,2-4H3.
What are the key properties of ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 565177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).