dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate

C11H18O4 — CID 54020221

IUPACdimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(C)C1
InChIInChI=1S/C11H18O4/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4/h7-8H,5-6H2,1-4H3
InChIKeyKYKASJGYHIMHKE-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.38
Rot. Bonds2

About dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate

dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate (PubChem CID 54020221) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate
PubChem CID54020221
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namedimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(C)C1
InChIInChI=1S/C11H18O4/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4/h7-8H,5-6H2,1-4H3
InChIKeyKYKASJGYHIMHKE-UHFFFAOYSA-N
XLogP1.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.38
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 ethyl(1-methylbutyl)malonate
CID 95450
Dimethyl cyclopentane-1,1-dicarboxylate
CID 12609605
Dimethyl 2-methylcyclopentane-1,1-dicarboxylate
CID 14961122
Diethyl 4-fluoro-2,2,4-trimethylcyclopentane-1,1-dicarboxylate
CID 154713324
Diethyl 3-fluoro-3-methylcyclopentane-1,1-dicarboxylate
CID 154714218
Diethyl 4-fluoro-2,4-dimethylcyclopentane-1,1-dicarboxylate
CID 154714831
Dimethyl 3-fluoro-3-methylcyclopentane-1,1-dicarboxylate
CID 177855950
Dimethyl 3-methylcyclopentane-1,1-dicarboxylate
CID 14950059
Diethyl 3-methylcyclopentane-1,1-dicarboxylate
CID 15579319
Trimethylcyclopentane-dicarboxylic acid
CID 21888986
Diethyl 2-cyclopentyl-2-methylmalonate
CID 68012188
diethyl (3S)-3-methylcyclopentane-1,1-dicarboxylate
CID 135044229

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate (CID 54020221) is dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC(C)C(C)C1.
What is the InChIKey of dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate?
The InChIKey is KYKASJGYHIMHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4/h7-8H,5-6H2,1-4H3.
What are the key properties of dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate?
dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dimethylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 54020221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).