ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate

C10H16O2 — CID 21494881

IUPACethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
SMILESC=CC1(C)CCC1C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-10(3)7-6-8(10)9(11)12-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyCVQRAABKIOIBRR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds3

About ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate

ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate (PubChem CID 21494881) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
PubChem CID21494881
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
SMILESC=CC1(C)CCC1C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-10(3)7-6-8(10)9(11)12-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyCVQRAABKIOIBRR-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
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ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
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ethyl 2-amino-2-methylcyclopropane-1-carboxylate
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ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate
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CID 177433119
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
2-ethoxycarbonyl-1-prop-2-enoyloxycyclohexane-1-carboxylic acid
CID 150323140
ethyl 4-formyl-4-hydroxycyclohexane-1-carboxylate
CID 118208123
ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
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ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate (CID 21494881) is ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate is C=CC1(C)CCC1C(=O)OCC.
What is the InChIKey of ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate?
The InChIKey is CVQRAABKIOIBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(3)7-6-8(10)9(11)12-5-2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate?
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 21494881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).