methyl 1,2,2-trimethylcyclopropane-1-carboxylate

C8H14O2 — CID 15129471

IUPACmethyl 1,2,2-trimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)5-8(7,3)6(9)10-4/h5H2,1-4H3
InChIKeyBLPQCDFICQHLHX-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds1

About methyl 1,2,2-trimethylcyclopropane-1-carboxylate

methyl 1,2,2-trimethylcyclopropane-1-carboxylate (PubChem CID 15129471) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl 1,2,2-trimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,2-trimethylcyclopropane-1-carboxylate
PubChem CID15129471
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl 1,2,2-trimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)5-8(7,3)6(9)10-4/h5H2,1-4H3
InChIKeyBLPQCDFICQHLHX-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-acetyl-1,2-dimethylcyclopropane-1-carboxylate
CID 45086506
methyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 580337
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842886
trans-methyl (1S,2S)-2-chloro-2,3,3-trifluoro-1-methylcyclobutane-1-carboxylate
CID 26596648
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
methyl (1R,1'S,5S)-1',3-dimethyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,2'-cyclopropane]-1'-carboxylate
CID 178096699
methyl 2-(1-hydroxy-2-methylpropan-2-yl)peroxy-1,2-dimethylcyclopropane-1-carboxylate
CID 141028175
methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
CID 141020138
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019
1-methoxycarbonyl-3,3-dimethylcyclobutane-1-carboxylic acid
CID 115017052
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,2-trimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1,2,2-trimethylcyclopropane-1-carboxylate (CID 15129471) is methyl 1,2,2-trimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1,2,2-trimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1,2,2-trimethylcyclopropane-1-carboxylate is COC(=O)C1(C)CC1(C)C.
What is the InChIKey of methyl 1,2,2-trimethylcyclopropane-1-carboxylate?
The InChIKey is BLPQCDFICQHLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)5-8(7,3)6(9)10-4/h5H2,1-4H3.
What are the key properties of methyl 1,2,2-trimethylcyclopropane-1-carboxylate?
methyl 1,2,2-trimethylcyclopropane-1-carboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,2-trimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 15129471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).