dimethyl 2-cyclopentylpropanedioate

C10H16O4 — CID 14831157

IUPACdimethyl 2-cyclopentylpropanedioate
SMILESCOC(=O)C(C(=O)OC)C1CCCC1
InChIInChI=1S/C10H16O4/c1-13-9(11)8(10(12)14-2)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3
InChIKeyKCCNEJJMJHDVCN-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.14
Rot. Bonds3

About dimethyl 2-cyclopentylpropanedioate

dimethyl 2-cyclopentylpropanedioate (PubChem CID 14831157) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is dimethyl 2-cyclopentylpropanedioate.

Molecular Properties

Compound Namedimethyl 2-cyclopentylpropanedioate
PubChem CID14831157
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namedimethyl 2-cyclopentylpropanedioate
SMILESCOC(=O)C(C(=O)OC)C1CCCC1
InChIInChI=1S/C10H16O4/c1-13-9(11)8(10(12)14-2)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3
InChIKeyKCCNEJJMJHDVCN-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclopentylpropanedioate?
The IUPAC name of dimethyl 2-cyclopentylpropanedioate (CID 14831157) is dimethyl 2-cyclopentylpropanedioate.
What is the SMILES notation for dimethyl 2-cyclopentylpropanedioate?
The canonical SMILES for dimethyl 2-cyclopentylpropanedioate is COC(=O)C(C(=O)OC)C1CCCC1.
What is the InChIKey of dimethyl 2-cyclopentylpropanedioate?
The InChIKey is KCCNEJJMJHDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-13-9(11)8(10(12)14-2)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of dimethyl 2-cyclopentylpropanedioate?
dimethyl 2-cyclopentylpropanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclopentylpropanedioate is sourced from PubChem (CID 14831157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).