methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate

C11H18O3 — CID 527139

IUPACmethyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C(C)CCC1C(C)C=O
InChIInChI=1S/C11H18O3/c1-7-4-5-9(8(2)6-12)10(7)11(13)14-3/h6-10H,4-5H2,1-3H3
InChIKeyPWAGNDORTYARTI-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate

methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate (PubChem CID 527139) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate
PubChem CID527139
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C(C)CCC1C(C)C=O
InChIInChI=1S/C11H18O3/c1-7-4-5-9(8(2)6-12)10(7)11(13)14-3/h6-10H,4-5H2,1-3H3
InChIKeyPWAGNDORTYARTI-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate (CID 527139) is methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate is COC(=O)C1C(C)CCC1C(C)C=O.
What is the InChIKey of methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate?
The InChIKey is PWAGNDORTYARTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7-4-5-9(8(2)6-12)10(7)11(13)14-3/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate?
methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 527139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).