methyl 1-propan-2-ylcyclopropane-1-carboxylate

C8H14O2 — CID 59734384

IUPACmethyl 1-propan-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(C)C)CC1
InChIInChI=1S/C8H14O2/c1-6(2)8(4-5-8)7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyVYOCCJUMOISJKK-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds2

About methyl 1-propan-2-ylcyclopropane-1-carboxylate

methyl 1-propan-2-ylcyclopropane-1-carboxylate (PubChem CID 59734384) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl 1-propan-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-propan-2-ylcyclopropane-1-carboxylate
PubChem CID59734384
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl 1-propan-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(C)C)CC1
InChIInChI=1S/C8H14O2/c1-6(2)8(4-5-8)7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyVYOCCJUMOISJKK-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
CID 91799029
methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
CID 115016947
methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
CID 115012255
methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate
CID 116959146
methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
CID 115020911
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445
methyl 1-[1-(dimethylamino)propyl]cyclopropane-1-carboxylate
CID 116912747
1-propan-2-ylcyclopropane-1-carbonyl chloride
CID 139221862
methyl 1-(2-methylpropanoyl)cyclopropane-1-carboxylate
CID 79554685
methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
CID 71088341
methyl (2S)-2-propan-2-ylpyrrolidine-2-carboxylate;hydrochloride
CID 162342607
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126

Frequently Asked Questions

What is the IUPAC name of methyl 1-propan-2-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-propan-2-ylcyclopropane-1-carboxylate (CID 59734384) is methyl 1-propan-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-propan-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-propan-2-ylcyclopropane-1-carboxylate is COC(=O)C1(C(C)C)CC1.
What is the InChIKey of methyl 1-propan-2-ylcyclopropane-1-carboxylate?
The InChIKey is VYOCCJUMOISJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)8(4-5-8)7(9)10-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 1-propan-2-ylcyclopropane-1-carboxylate?
methyl 1-propan-2-ylcyclopropane-1-carboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propan-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 59734384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).