diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate

C15H22O4 — CID 101490379

IUPACdiethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate
SMILESC=CC1=CCCCC1C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H22O4/c1-4-11-9-7-8-10-12(11)13(14(16)18-5-2)15(17)19-6-3/h4,9,12-13H,1,5-8,10H2,2-3H3
InChIKeyVYYTZMHZXYRMJW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.64
Rot. Bonds6

About diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate

diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate (PubChem CID 101490379) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate
PubChem CID101490379
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namediethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate
SMILESC=CC1=CCCCC1C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H22O4/c1-4-11-9-7-8-10-12(11)13(14(16)18-5-2)15(17)19-6-3/h4,9,12-13H,1,5-8,10H2,2-3H3
InChIKeyVYYTZMHZXYRMJW-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.64
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

Diethyl 2-cyclopenten-1-ylmalonate
CID 96203
Dimethyl 2-(2-cyclohexen-1-yl)malonate
CID 10889207
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Diethyl allyl-2-cyclopenten-1-ylmalonate
CID 15162980
Diethyl 2-(4,5-dimethyl-2-methylidenehex-4-enyl)propanedioate
CID 12023810
Diethyl 4-methyl-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
CID 14140229
Dimethyl 1,7-dimethyl-1,2,4,6-tetrahydroindene-5,5-dicarboxylate
CID 72829017
Diethyl 4-(2-methylprop-1-enyl)cyclohex-3-ene-1,1-dicarboxylate
CID 101198581
diethyl 2-[(Z,2R)-1-oxonon-6-en-2-yl]propanedioate
CID 134951192
Diethyl (cyclohex-2-en-1-yl)propanedioate
CID 237534
dimethyl 2-[(1R)-cyclohex-2-en-1-yl]propanedioate
CID 10867595
Ethyl alpha-acetyl-2-cyclohexene-1-acetate
CID 11009195

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate?
The IUPAC name of diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate (CID 101490379) is diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate.
What is the SMILES notation for diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate?
The canonical SMILES for diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate is C=CC1=CCCCC1C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate?
The InChIKey is VYYTZMHZXYRMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-11-9-7-8-10-12(11)13(14(16)18-5-2)15(17)19-6-3/h4,9,12-13H,1,5-8,10H2,2-3H3.
What are the key properties of diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate?
diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate has a molecular weight of 266.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate is sourced from PubChem (CID 101490379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).