propan-2-yl 2-methylcyclopropane-1-carboxylate

C8H14O2 — CID 22239131

IUPACpropan-2-yl 2-methylcyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1CC1C
InChIInChI=1S/C8H14O2/c1-5(2)10-8(9)7-4-6(7)3/h5-7H,4H2,1-3H3
InChIKeyUMYBJEUWFZITJF-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.59
Rot. Bonds2

About propan-2-yl 2-methylcyclopropane-1-carboxylate

propan-2-yl 2-methylcyclopropane-1-carboxylate (PubChem CID 22239131) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is propan-2-yl 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methylcyclopropane-1-carboxylate
PubChem CID22239131
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namepropan-2-yl 2-methylcyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1CC1C
InChIInChI=1S/C8H14O2/c1-5(2)10-8(9)7-4-6(7)3/h5-7H,4H2,1-3H3
InChIKeyUMYBJEUWFZITJF-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylcyclopropane-1-carboxylate?
The IUPAC name of propan-2-yl 2-methylcyclopropane-1-carboxylate (CID 22239131) is propan-2-yl 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for propan-2-yl 2-methylcyclopropane-1-carboxylate is CC(C)OC(=O)C1CC1C.
What is the InChIKey of propan-2-yl 2-methylcyclopropane-1-carboxylate?
The InChIKey is UMYBJEUWFZITJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)10-8(9)7-4-6(7)3/h5-7H,4H2,1-3H3.
What are the key properties of propan-2-yl 2-methylcyclopropane-1-carboxylate?
propan-2-yl 2-methylcyclopropane-1-carboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 22239131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).