diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate

C14H24O4 — CID 15550872

IUPACdiethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(C)C
InChIInChI=1S/C14H24O4/c1-5-17-12(15)14(13(16)18-6-2)9-7-8-11(14)10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyKIBCXHQLJYNVGA-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.56
Rot. Bonds5

About diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate

diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate (PubChem CID 15550872) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
PubChem CID15550872
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namediethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(C)C
InChIInChI=1S/C14H24O4/c1-5-17-12(15)14(13(16)18-6-2)9-7-8-11(14)10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyKIBCXHQLJYNVGA-UHFFFAOYSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.56
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

diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate
CID 11044491
diethyl (2S)-2-[(E)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxybut-2-enyl]cyclopentane-1,1-dicarboxylate
CID 102023050
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
CID 65044720
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
CID 127263900
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 1-(4-aminopentyl)cyclohexane-1-carboxylate
CID 143346476
ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
CID 65045290
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967

Frequently Asked Questions

What is the IUPAC name of diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate (CID 15550872) is diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCCC1C(C)C.
What is the InChIKey of diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate?
The InChIKey is KIBCXHQLJYNVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-17-12(15)14(13(16)18-6-2)9-7-8-11(14)10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate?
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 15550872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).