ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate

C12H22O2 — CID 550428

IUPACethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(CC(C)C)C1(C)C
InChIInChI=1S/C12H22O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h8-10H,6-7H2,1-5H3
InChIKeyJMFHXKLCDSCLTQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.87
Rot. Bonds4

About ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate

ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate (PubChem CID 550428) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate
PubChem CID550428
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(CC(C)C)C1(C)C
InChIInChI=1S/C12H22O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h8-10H,6-7H2,1-5H3
InChIKeyJMFHXKLCDSCLTQ-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2,2-dimethyl-3-(2-methylpropyl)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

Ethyl 3,5,5-trimethylhexanoate
CID 3017783
Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
CID 100993
Isostearyl Isononanoate
CID 19704608
Isodecyl isononanoate
CID 91667972
Ethyl 4-methylheptanoate
CID 10773534
Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester
CID 100992
Ethyl spiro[2.3]hexane-1-carboxylate
CID 533443
Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate
CID 254419
Ethyl 2-methylheptanoate
CID 3015916
Ethyl 3-methylheptanoate
CID 13040624
Ethyl 3-methyldecanoate
CID 560492
Butyl isooctanoate
CID 53249766

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate (CID 550428) is ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate is CCOC(=O)C1C(CC(C)C)C1(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate?
The InChIKey is JMFHXKLCDSCLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate?
ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate has a molecular weight of 198.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 550428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).