dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate

C16H28O4 — CID 103973134

IUPACdimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
SMILESCCCC(C)CC(C(=O)OC)(C(=O)OC)C1CCCC1
InChIInChI=1S/C16H28O4/c1-5-8-12(2)11-16(14(17)19-3,15(18)20-4)13-9-6-7-10-13/h12-13H,5-11H2,1-4H3
InChIKeyVIBNDWYBACZDSM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.34
Rot. Bonds7

About dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate

dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate (PubChem CID 103973134) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
PubChem CID103973134
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namedimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
SMILESCCCC(C)CC(C(=O)OC)(C(=O)OC)C1CCCC1
InChIInChI=1S/C16H28O4/c1-5-8-12(2)11-16(14(17)19-3,15(18)20-4)13-9-6-7-10-13/h12-13H,5-11H2,1-4H3
InChIKeyVIBNDWYBACZDSM-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.34
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-cyclopentyl-2-(2-methylpentyl)propanedioate?
The IUPAC name of dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate (CID 103973134) is dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate.
What is the SMILES notation for dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate?
The canonical SMILES for dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate is CCCC(C)CC(C(=O)OC)(C(=O)OC)C1CCCC1.
What is the InChIKey of dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate?
The InChIKey is VIBNDWYBACZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-8-12(2)11-16(14(17)19-3,15(18)20-4)13-9-6-7-10-13/h12-13H,5-11H2,1-4H3.
What are the key properties of dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate?
dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate has a molecular weight of 284.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate is sourced from PubChem (CID 103973134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).