diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate

C14H23ClO4 — CID 11044491

IUPACdiethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(C)(C)Cl
InChIInChI=1S/C14H23ClO4/c1-5-18-11(16)14(12(17)19-6-2)9-7-8-10(14)13(3,4)15/h10H,5-9H2,1-4H3
InChIKeyHVEWHRWDAXVSNR-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.92
Rot. Bonds5

About diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate

diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate (PubChem CID 11044491) has the molecular formula C14H23ClO4 and a molecular weight of 290.79 g/mol. Its IUPAC name is diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate
PubChem CID11044491
Molecular FormulaC14H23ClO4
Molecular Weight290.79 g/mol
Exact Mass290.13
IUPAC Namediethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(C)(C)Cl
InChIInChI=1S/C14H23ClO4/c1-5-18-11(16)14(12(17)19-6-2)9-7-8-10(14)13(3,4)15/h10H,5-9H2,1-4H3
InChIKeyHVEWHRWDAXVSNR-UHFFFAOYSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
CID 127263900
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
diethyl 1-propylcyclohexane-1,2-dicarboxylate
CID 146562592
ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
CID 65045290
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
CID 58597127
trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 54758925
ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 134469495
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate (CID 11044491) is diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCCC1C(C)(C)Cl.
What is the InChIKey of diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate?
The InChIKey is HVEWHRWDAXVSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO4/c1-5-18-11(16)14(12(17)19-6-2)9-7-8-10(14)13(3,4)15/h10H,5-9H2,1-4H3.
What are the key properties of diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate?
diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate has a molecular weight of 290.79 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-chloropropan-2-yl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11044491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).