diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate

C15H24O4 — CID 134893590

IUPACdiethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)=C1C(C)CCC1(C)C
InChIInChI=1S/C15H24O4/c1-6-18-13(16)11(14(17)19-7-2)12-10(3)8-9-15(12,4)5/h10H,6-9H2,1-5H3
InChIKeyUNRDVDHBTKIIPE-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.87
Rot. Bonds4

About diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate

diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate (PubChem CID 134893590) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate
PubChem CID134893590
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namediethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)=C1C(C)CCC1(C)C
InChIInChI=1S/C15H24O4/c1-6-18-13(16)11(14(17)19-7-2)12-10(3)8-9-15(12,4)5/h10H,6-9H2,1-5H3
InChIKeyUNRDVDHBTKIIPE-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1,3-Diethyl 2-cyclopentylidenepropanedioate
CID 4076271
Diethyl 2-(2,2,7-trimethylcycloheptylidene)propanedioate
CID 134872543
ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate
CID 134872571
Diethyl 2-(2,2,6-trimethylcyclohexylidene)propanedioate
CID 134872686
Diethyl (2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene)malonate
CID 3020883
Diethyl 2-(1-isopropyl-2-methylpropylidene)malonate
CID 24975941
Diethyl 2-(dicyclopentylmethylidene)propanedioate
CID 90311124
Dimethyl 2-(cyclopentylmethylidene)propanedioate
CID 90311145
Bis(2-methylpropyl) 2-(2,2,4,4-tetramethylpentan-3-ylidene)propanedioate
CID 90311182
Dipropyl 2-(2-ethylpentylidene)propanedioate
CID 90311218
Diethyl 2-(2-ethylpentylidene)propanedioate
CID 90311257
Bis(2-methylpropyl) 2-(cyclopentylmethylidene)propanedioate
CID 90311289

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate?
The IUPAC name of diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate (CID 134893590) is diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate.
What is the SMILES notation for diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate?
The canonical SMILES for diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate is CCOC(=O)C(C(=O)OCC)=C1C(C)CCC1(C)C.
What is the InChIKey of diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate?
The InChIKey is UNRDVDHBTKIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-18-13(16)11(14(17)19-7-2)12-10(3)8-9-15(12,4)5/h10H,6-9H2,1-5H3.
What are the key properties of diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate?
diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate has a molecular weight of 268.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate is sourced from PubChem (CID 134893590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).