tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate

C15H24O4 — CID 11230967

IUPACtert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate
SMILESCC(=O)CC(C)[C@]1(C(=O)OC(C)(C)C)CCCC1=O
InChIInChI=1S/C15H24O4/c1-10(9-11(2)16)15(8-6-7-12(15)17)13(18)19-14(3,4)5/h10H,6-9H2,1-5H3/t10?,15-/m1/s1
InChIKeySQROQPUTMYSLSN-GENIYJEYSA-N
MW268.35 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate

tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate (PubChem CID 11230967) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate
PubChem CID11230967
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nametert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate
SMILESCC(=O)CC(C)[C@]1(C(=O)OC(C)(C)C)CCCC1=O
InChIInChI=1S/C15H24O4/c1-10(9-11(2)16)15(8-6-7-12(15)17)13(18)19-14(3,4)5/h10H,6-9H2,1-5H3/t10?,15-/m1/s1
InChIKeySQROQPUTMYSLSN-GENIYJEYSA-N
XLogP2.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (1R)-1-[(1S)-2-nitro-1-phenylethyl]-2-oxocyclopentane-1-carboxylate
CID 11631354
2-methyl-2-(4-oxopentan-2-yl)cyclohexane-1,3-dione
CID 13184068
tert-butyl (1S)-1-(hydroxymethyl)-2-oxocyclohexane-1-carboxylate
CID 102277330
tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate
CID 102076053
tert-butyl (1S)-2-oxo-1-[(Z)-5-oxohex-2-enyl]cyclohexane-1-carboxylate
CID 177482152
methyl 1-(1-chloroethyl)-2-oxocyclopentane-1-carboxylate
CID 174604024
methyl (1R)-1-[(R)-(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxocyclopentane-1-carboxylate
CID 134835902
prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocycloheptane-1-carboxylate
CID 121408911
tert-butyl (1S)-1-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-[3-(trifluoromethyl)phenyl]methyl]-2-oxocyclopentane-1-carboxylate
CID 46855704
methyl (1R)-1-[(R)-(4-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxocyclopentane-1-carboxylate
CID 135064302
ethyl (1S)-1-[(1S)-3-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-ynyl]-2-oxocyclopentane-1-carboxylate
CID 134948434
tert-butyl 1-benzyl-2-oxocyclohexane-1-carboxylate
CID 10266125

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate (CID 11230967) is tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate is CC(=O)CC(C)[C@]1(C(=O)OC(C)(C)C)CCCC1=O.
What is the InChIKey of tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate?
The InChIKey is SQROQPUTMYSLSN-GENIYJEYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(9-11(2)16)15(8-6-7-12(15)17)13(18)19-14(3,4)5/h10H,6-9H2,1-5H3/t10?,15-/m1/s1.
What are the key properties of tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate?
tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 11230967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).