dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate

C19H26O4 — CID 11232385

IUPACdimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate
SMILESCOC(=O)C(C=C=C1CCCCC1)(C(=O)OC)C1C=CCCC1
InChIInChI=1S/C19H26O4/c1-22-17(20)19(18(21)23-2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h7,11,14,16H,3-6,8-10,12H2,1-2H3
InChIKeyAOHINNJRCJPLFL-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.72
Rot. Bonds4

About dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate

dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate (PubChem CID 11232385) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate
PubChem CID11232385
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Namedimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate
SMILESCOC(=O)C(C=C=C1CCCCC1)(C(=O)OC)C1C=CCCC1
InChIInChI=1S/C19H26O4/c1-22-17(20)19(18(21)23-2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h7,11,14,16H,3-6,8-10,12H2,1-2H3
InChIKeyAOHINNJRCJPLFL-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate?
The IUPAC name of dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate (CID 11232385) is dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate.
What is the SMILES notation for dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate?
The canonical SMILES for dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate is COC(=O)C(C=C=C1CCCCC1)(C(=O)OC)C1C=CCCC1.
What is the InChIKey of dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate?
The InChIKey is AOHINNJRCJPLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-22-17(20)19(18(21)23-2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h7,11,14,16H,3-6,8-10,12H2,1-2H3.
What are the key properties of dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate?
dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate has a molecular weight of 318.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclohex-2-en-1-yl-2-(2-cyclohexylideneethenyl)propanedioate is sourced from PubChem (CID 11232385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).