methyl 2,3,3-trimethylcyclopropene-1-carboxylate

C8H12O2 — CID 11007991

IUPACmethyl 2,3,3-trimethylcyclopropene-1-carboxylate
SMILESCOC(=O)C1=C(C)C1(C)C
InChIInChI=1S/C8H12O2/c1-5-6(7(9)10-4)8(5,2)3/h1-4H3
InChIKeyPHLTVWHVSIFRKW-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds1

About methyl 2,3,3-trimethylcyclopropene-1-carboxylate

methyl 2,3,3-trimethylcyclopropene-1-carboxylate (PubChem CID 11007991) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2,3,3-trimethylcyclopropene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,3-trimethylcyclopropene-1-carboxylate
PubChem CID11007991
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2,3,3-trimethylcyclopropene-1-carboxylate
SMILESCOC(=O)C1=C(C)C1(C)C
InChIInChI=1S/C8H12O2/c1-5-6(7(9)10-4)8(5,2)3/h1-4H3
InChIKeyPHLTVWHVSIFRKW-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
Methyl 2-tert-butyl-3-methylbut-2-enoate
CID 20485391
Methyl 2-tert-butylcyclopropene-1-carboxylate
CID 13708346
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
dimethyl (Z)-2-(2,3-dimethylbut-3-en-2-yl)but-2-enedioate
CID 12508690
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
Ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate
CID 18551456
Methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate
CID 23331045
Ethyl 4,4-dimethylcyclobutene-1-carboxylate
CID 58196311
Methyl 2,3,3,4,5,6,6-heptamethylcyclohexa-1,4-dienecarboxylate
CID 71187094
dimethyl (Z)-2-(2,2-dimethylpropyl)-3-propylbut-2-enedioate
CID 88548966
dimethyl (Z)-2-(2,2-dimethylpropyl)-3-methylbut-2-enedioate
CID 88549077

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,3-trimethylcyclopropene-1-carboxylate?
The IUPAC name of methyl 2,3,3-trimethylcyclopropene-1-carboxylate (CID 11007991) is methyl 2,3,3-trimethylcyclopropene-1-carboxylate.
What is the SMILES notation for methyl 2,3,3-trimethylcyclopropene-1-carboxylate?
The canonical SMILES for methyl 2,3,3-trimethylcyclopropene-1-carboxylate is COC(=O)C1=C(C)C1(C)C.
What is the InChIKey of methyl 2,3,3-trimethylcyclopropene-1-carboxylate?
The InChIKey is PHLTVWHVSIFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-6(7(9)10-4)8(5,2)3/h1-4H3.
What are the key properties of methyl 2,3,3-trimethylcyclopropene-1-carboxylate?
methyl 2,3,3-trimethylcyclopropene-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,3-trimethylcyclopropene-1-carboxylate is sourced from PubChem (CID 11007991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).