2-methylpropyl cyclopropanecarboxylate

C8H14O2 — CID 549520

IUPAC2-methylpropyl cyclopropanecarboxylate
SMILESCC(C)COC(=O)C1CC1
InChIInChI=1S/C8H14O2/c1-6(2)5-10-8(9)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyZIODMHXAGZXTJF-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds3

About 2-methylpropyl cyclopropanecarboxylate

2-methylpropyl cyclopropanecarboxylate (PubChem CID 549520) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methylpropyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-methylpropyl cyclopropanecarboxylate
PubChem CID549520
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methylpropyl cyclopropanecarboxylate
SMILESCC(C)COC(=O)C1CC1
InChIInChI=1S/C8H14O2/c1-6(2)5-10-8(9)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyZIODMHXAGZXTJF-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

1-O-(4-methylpentyl) 4-O-(2-methylpropyl) cyclohexane-1,4-dicarboxylate
CID 66983850
2-methylpropyl 4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 134192365
cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323797
tetrakis(2-methylpropyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 23444116
3-(2-methylpropoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983583
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
3-O-(3-methylbutyl) 1-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984045
4-methylpentyl cyclopropanecarboxylate
CID 550148
2-methylpropyl 1-tert-butylazetidine-3-carboxylate
CID 167338464
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride
CID 68848607

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl cyclopropanecarboxylate?
The IUPAC name of 2-methylpropyl cyclopropanecarboxylate (CID 549520) is 2-methylpropyl cyclopropanecarboxylate.
What is the SMILES notation for 2-methylpropyl cyclopropanecarboxylate?
The canonical SMILES for 2-methylpropyl cyclopropanecarboxylate is CC(C)COC(=O)C1CC1.
What is the InChIKey of 2-methylpropyl cyclopropanecarboxylate?
The InChIKey is ZIODMHXAGZXTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methylpropyl cyclopropanecarboxylate?
2-methylpropyl cyclopropanecarboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl cyclopropanecarboxylate is sourced from PubChem (CID 549520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).