tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C13H22O2 — CID 141102764

IUPACtert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=CC1CC1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22O2/c1-9(2)7-10-8-13(10,6)11(14)15-12(3,4)5/h7,10H,8H2,1-6H3
InChIKeyFETKXSFGYIMCBY-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 141102764) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID141102764
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nametert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=CC1CC1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22O2/c1-9(2)7-10-8-13(10,6)11(14)15-12(3,4)5/h7,10H,8H2,1-6H3
InChIKeyFETKXSFGYIMCBY-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylprop-1-enyl)cyclopropane-1,1-dicarboxylic acid
CID 20558390
cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 68578844
tert-butyl 2-acetyl-2-methylcyclopropane-1-carboxylate
CID 59593712
tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 69420627
tert-butyl 1,3-diaminocyclobutane-1-carboxylate
CID 141497199
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
CID 159817831
6-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 14189887
tert-butyl 1-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylate
CID 175646816
tert-butyl (1R,3R,4R)-1-amino-3,4-dimethylcyclohexane-1-carboxylate
CID 125426362
ditert-butyl 1-chlorocyclopropane-1,2-dicarboxylate
CID 23158970
tert-butyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 130268262
tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
CID 59878982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 141102764) is tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=CC1CC1(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is FETKXSFGYIMCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)7-10-8-13(10,6)11(14)15-12(3,4)5/h7,10H,8H2,1-6H3.
What are the key properties of tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 141102764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).