dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate

C10H16O4 — CID 10976490

IUPACdimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CCC[C@@H]1C
InChIInChI=1S/C10H16O4/c1-7-5-4-6-10(7,8(11)13-2)9(12)14-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyLPJFDJXQHDTPBY-ZETCQYMHSA-N
MW200.23 g/mol
LogP1.14
Rot. Bonds2

About dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate

dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate (PubChem CID 10976490) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate
PubChem CID10976490
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namedimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CCC[C@@H]1C
InChIInChI=1S/C10H16O4/c1-7-5-4-6-10(7,8(11)13-2)9(12)14-3/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyLPJFDJXQHDTPBY-ZETCQYMHSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.14
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

Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
CID 103546
1,3-Diethyl 2-cyclopentylpropanedioate
CID 249269
Dimethyl Cyclohexane-1,1-dicarboxylate
CID 10965525
Dimethyl pentylpropanedioate
CID 12489491
1,3-Dimethyl 2-cyclopentylpropanedioate
CID 14831157
Ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 67339971
Dimethyl 2-hexyl-2-methylpropanedioate
CID 13460038
Dimethyl (3,3-diethylbutyl)malonate
CID 42552953
Dimethyl 2-methylcyclopentane-1,1-dicarboxylate
CID 14961122
Cyclopentanecarboxylic acid, 2-oxo-1-pentyl-, methyl ester
CID 108336
Diethyl ethyl(pentyl)propanedioate
CID 223299
Tetramethyl 1,1,2,2-cyclopentanetetracarboxylate
CID 879029

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate (CID 10976490) is dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CCC[C@@H]1C.
What is the InChIKey of dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is LPJFDJXQHDTPBY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-5-4-6-10(7,8(11)13-2)9(12)14-3/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate?
dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S)-2-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10976490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).