diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate

C16H28O4 — CID 70189214

IUPACdiethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
SMILESCCOC(=O)C(CC(C)C)(C(=O)OCC)C1CCCC1
InChIInChI=1S/C16H28O4/c1-5-19-14(17)16(11-12(3)4,15(18)20-6-2)13-9-7-8-10-13/h12-13H,5-11H2,1-4H3
InChIKeyIHHACLIGKDGSDA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.34
Rot. Bonds7

About diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate

diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate (PubChem CID 70189214) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
PubChem CID70189214
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namediethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
SMILESCCOC(=O)C(CC(C)C)(C(=O)OCC)C1CCCC1
InChIInChI=1S/C16H28O4/c1-5-19-14(17)16(11-12(3)4,15(18)20-6-2)13-9-7-8-10-13/h12-13H,5-11H2,1-4H3
InChIKeyIHHACLIGKDGSDA-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.34
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

bis(2,2-dimethylpropyl) 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 118088481
bis(2-methylpropyl) 2-cyclohexyl-2-(2-methylpropyl)propanedioate
CID 118088527
2-ethoxycarbonyl-4-methyl-2-(oxan-4-yl)pentanoic acid
CID 103973928
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
bis(2,2-dimethylpropyl) 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 118088525
2-(2-cyclopentyl-1-ethoxy-1-oxobutan-2-yl)-4-methylpent-2-enoic acid
CID 70869599
2-(2-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)-4-methylpent-2-enoic acid
CID 70869575
ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868165
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
CID 103973134
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914

Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate?
The IUPAC name of diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate (CID 70189214) is diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate.
What is the SMILES notation for diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate?
The canonical SMILES for diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate is CCOC(=O)C(CC(C)C)(C(=O)OCC)C1CCCC1.
What is the InChIKey of diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate?
The InChIKey is IHHACLIGKDGSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-19-14(17)16(11-12(3)4,15(18)20-6-2)13-9-7-8-10-13/h12-13H,5-11H2,1-4H3.
What are the key properties of diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate?
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate has a molecular weight of 284.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate is sourced from PubChem (CID 70189214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).