dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate

C15H26O4 — CID 113360294

IUPACdimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
SMILESCOC(=O)C(CCC(C)C)(C(=O)OC)C1CCCC1
InChIInChI=1S/C15H26O4/c1-11(2)9-10-15(13(16)18-3,14(17)19-4)12-7-5-6-8-12/h11-12H,5-10H2,1-4H3
InChIKeyKLQATTWJGGCPLA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.95
Rot. Bonds6

About dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate

dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate (PubChem CID 113360294) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
PubChem CID113360294
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namedimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
SMILESCOC(=O)C(CCC(C)C)(C(=O)OC)C1CCCC1
InChIInChI=1S/C15H26O4/c1-11(2)9-10-15(13(16)18-3,14(17)19-4)12-7-5-6-8-12/h11-12H,5-10H2,1-4H3
InChIKeyKLQATTWJGGCPLA-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.95
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

2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
bis(2,2-dimethylpropyl) 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 118088525
dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
CID 103973134
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate
CID 103973148
2-cyclopentyl-5,5,5-trifluoro-2-methoxycarbonylpentanoic acid
CID 103974632
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
bis(2-methylpropyl) 2-cyclohexyl-2-(2-methylpropyl)propanedioate
CID 118088527
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
bis(2,2-dimethylpropyl) 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 118088481
2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
CID 67678236
dimethyl 2-(3-methylbutyl)-2-(4-methylpentyl)propanedioate
CID 139692191

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate?
The IUPAC name of dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate (CID 113360294) is dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate.
What is the SMILES notation for dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate?
The canonical SMILES for dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate is COC(=O)C(CCC(C)C)(C(=O)OC)C1CCCC1.
What is the InChIKey of dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate?
The InChIKey is KLQATTWJGGCPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(2)9-10-15(13(16)18-3,14(17)19-4)12-7-5-6-8-12/h11-12H,5-10H2,1-4H3.
What are the key properties of dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate?
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate has a molecular weight of 270.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate is sourced from PubChem (CID 113360294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).