(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate

C25H26O5 — CID 88809968

IUPAC(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
SMILESO=C(OC(=O)c1ccccc1C1CCCC1)OC(=O)c1ccccc1C1CCCC1
InChIInChI=1S/C25H26O5/c26-23(21-15-7-5-13-19(21)17-9-1-2-10-17)29-25(28)30-24(27)22-16-8-6-14-20(22)18-11-3-4-12-18/h5-8,13-18H,1-4,9-12H2
InChIKeyNBWBALVYDPZCOU-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.14
Rot. Bonds4

About (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate

(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate (PubChem CID 88809968) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate.

Molecular Properties

Compound Name(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
PubChem CID88809968
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
SMILESO=C(OC(=O)c1ccccc1C1CCCC1)OC(=O)c1ccccc1C1CCCC1
InChIInChI=1S/C25H26O5/c26-23(21-15-7-5-13-19(21)17-9-1-2-10-17)29-25(28)30-24(27)22-16-8-6-14-20(22)18-11-3-4-12-18/h5-8,13-18H,1-4,9-12H2
InChIKeyNBWBALVYDPZCOU-UHFFFAOYSA-N
XLogP6.14
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclobutylbenzoate
CID 106942755
prop-2-enyl 2-cyclohexylbenzoate
CID 175178065
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(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
2-cyclohexyl-N-oxobenzamide
CID 88502086
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
ethyl 2-cyclopropylbenzoate
CID 118105330
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
2-(4-aminocycloheptyl)benzoic acid
CID 115039628
methyl 2-(4-oxocyclohexyl)benzoate
CID 170755428

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate?
The IUPAC name of (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate (CID 88809968) is (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate.
What is the SMILES notation for (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate?
The canonical SMILES for (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate is O=C(OC(=O)c1ccccc1C1CCCC1)OC(=O)c1ccccc1C1CCCC1.
What is the InChIKey of (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate?
The InChIKey is NBWBALVYDPZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c26-23(21-15-7-5-13-19(21)17-9-1-2-10-17)29-25(28)30-24(27)22-16-8-6-14-20(22)18-11-3-4-12-18/h5-8,13-18H,1-4,9-12H2.
What are the key properties of (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate?
(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate has a molecular weight of 406.48 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate is sourced from PubChem (CID 88809968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).