diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate

C14H24O6 — CID 11808338

IUPACdiethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(OC)OC
InChIInChI=1S/C14H24O6/c1-5-19-12(15)14(13(16)20-6-2)9-7-8-10(14)11(17-3)18-4/h10-11H,5-9H2,1-4H3
InChIKeyYMNRJJXAEOBMQB-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.52
Rot. Bonds7

About diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate

diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate (PubChem CID 11808338) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate
PubChem CID11808338
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namediethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCC1C(OC)OC
InChIInChI=1S/C14H24O6/c1-5-19-12(15)14(13(16)20-6-2)9-7-8-10(14)11(17-3)18-4/h10-11H,5-9H2,1-4H3
InChIKeyYMNRJJXAEOBMQB-UHFFFAOYSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-methylcyclopentane-1,1-dicarboxylate
CID 14961122
Tetramethyl 1,1,2,2-cyclopentanetetracarboxylate
CID 879029
Diethyl 2-cyclopentyl-2-ethylmalonate
CID 57267306
Diethyl 2-cyclopentyl-2-methylmalonate
CID 68012188
dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate
CID 10976490
1,1-Cyclopentanedicarboxylic acid, 2-formyl-, diethyl ester, (2R)-
CID 12168015
methyl (3aR,6aS)-3-oxo-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-carboxylate
CID 24894961
Dipropan-2-yl 2-(acetyloxymethyl)cyclopentane-1,1-dicarboxylate
CID 101499405
methyl (3aS,6aR)-3-oxo-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-carboxylate
CID 102094835
Diethyl 2,2-dimethylcyclopentane-1,1-dicarboxylate
CID 135041560
2-O-ethyl 1-O,1-O'-dimethyl 3-methylcyclopentane-1,1,2-tricarboxylate
CID 135067009
dipropan-2-yl (2S)-2-[(S)-acetyloxy(deuterio)methyl]cyclopentane-1,1-dicarboxylate
CID 139250910

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate (CID 11808338) is diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCCC1C(OC)OC.
What is the InChIKey of diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is YMNRJJXAEOBMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-5-19-12(15)14(13(16)20-6-2)9-7-8-10(14)11(17-3)18-4/h10-11H,5-9H2,1-4H3.
What are the key properties of diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate?
diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 288.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11808338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).