methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate

C9H16O2 — CID 116842789

IUPACmethyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCC1(C(=O)OC)CC1(C)C
InChIInChI=1S/C9H16O2/c1-5-9(7(10)11-4)6-8(9,2)3/h5-6H2,1-4H3
InChIKeyXQTNBCIBBINGMI-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.99
Rot. Bonds2

About methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate

methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 116842789) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID116842789
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namemethyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCC1(C(=O)OC)CC1(C)C
InChIInChI=1S/C9H16O2/c1-5-9(7(10)11-4)6-8(9,2)3/h5-6H2,1-4H3
InChIKeyXQTNBCIBBINGMI-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 1-ethyl-2,2-dimethylcyclopropane-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

methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 3-ethyl-2,3-dimethyloxirane-2-carboxylate
CID 12916411
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
CID 129385459
methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
CID 10081997
methyl (2R,3R,5E)-3-ethyl-2-methoxy-5-(2-methoxy-2-oxoethylidene)-2-methyloxolane-3-carboxylate
CID 11482659
methyl 2-ethoxy-1-methylcyclopropane-1-carboxylate
CID 13207562
methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 115013996
methyl 3,5-bis(hydroxymethyl)-1,3,5-trimethylcyclohexane-1-carboxylate
CID 138319906
methyl 4,4-diethyl-1-methylcyclohexa-2,5-diene-1-carboxylate
CID 57413274
methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
CID 141020138
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate (CID 116842789) is methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate is CCC1(C(=O)OC)CC1(C)C.
What is the InChIKey of methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is XQTNBCIBBINGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-9(7(10)11-4)6-8(9,2)3/h5-6H2,1-4H3.
What are the key properties of methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate?
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 156.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 116842789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).