benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate

C19H26O4 — CID 58560493

IUPACbenzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C19H26O4/c1-18(2,3)23-16(20)13-19(11-7-8-12-19)17(21)22-14-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3
InChIKeyMRJPFMAUCXPBTC-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.02
Rot. Bonds5

About benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate

benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate (PubChem CID 58560493) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
PubChem CID58560493
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Namebenzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C19H26O4/c1-18(2,3)23-16(20)13-19(11-7-8-12-19)17(21)22-14-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3
InChIKeyMRJPFMAUCXPBTC-UHFFFAOYSA-N
XLogP4.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1-[2-(dimethylamino)-2-oxoethyl]cyclohexane-1-carboxylate
CID 146950043
tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016
tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate
CID 67428133
benzyl 1-(trifluoromethylsulfonyloxymethyl)cyclopentane-1-carboxylate
CID 126617485
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
CID 158776488
[(1R)-1-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutanecarbonyl]amino]-2-phenylethyl]boronic acid
CID 58361596
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511
(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid
CID 59892210
1-O-benzyl 4-O-tert-butyl 1-methylcyclohexane-1,4-dicarboxylate
CID 118208088
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 124673479

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate?
The IUPAC name of benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate (CID 58560493) is benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate?
The canonical SMILES for benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate is CC(C)(C)OC(=O)CC1(C(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate?
The InChIKey is MRJPFMAUCXPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-18(2,3)23-16(20)13-19(11-7-8-12-19)17(21)22-14-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3.
What are the key properties of benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate?
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate has a molecular weight of 318.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 58560493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).