bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate

C22H30O4 — CID 163744531

IUPACbis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate
SMILESO=C(OCC1C=CCCC1)C1CC=CCC1C(=O)OCC1C=CCCC1
InChIInChI=1S/C22H30O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h3,5,7-9,11,17-20H,1-2,4,6,10,12-16H2
InChIKeyLKRILPLGDOZVQX-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.37
Rot. Bonds6

About bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate

bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate (PubChem CID 163744531) has the molecular formula C22H30O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate
PubChem CID163744531
Molecular FormulaC22H30O4
Molecular Weight358.48 g/mol
Exact Mass358.21
IUPAC Namebis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate
SMILESO=C(OCC1C=CCCC1)C1CC=CCC1C(=O)OCC1C=CCCC1
InChIInChI=1S/C22H30O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h3,5,7-9,11,17-20H,1-2,4,6,10,12-16H2
InChIKeyLKRILPLGDOZVQX-UHFFFAOYSA-N
XLogP4.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate
CID 20519518
bis(cyclohept-2-en-1-ylmethyl) carbonate
CID 175027779
cyclohex-2-en-1-ylmethyl phenylselanylformate
CID 14782893
diethyl cyclohept-4-ene-1,2-dicarboxylate
CID 66930380
6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate
CID 70552607
ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate
CID 167715364
cyclohex-2-en-1-ylmethanol;phosphoric acid
CID 174366936
S-(cyclohex-2-en-1-ylmethyl) 2-aminoethanethioate
CID 123527787
cyclohex-2-en-1-ylmethyl 3-hydroxy-4-methoxy-2-methylbenzoate
CID 23296068
3-(butoxymethyl)cyclohexene
CID 143541702
2-cyclohex-2-en-1-yl-1-cyclopentylethanone
CID 114620361
5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid
CID 151251955

Frequently Asked Questions

What is the IUPAC name of bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate (CID 163744531) is bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate is O=C(OCC1C=CCCC1)C1CC=CCC1C(=O)OCC1C=CCCC1.
What is the InChIKey of bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is LKRILPLGDOZVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h3,5,7-9,11,17-20H,1-2,4,6,10,12-16H2.
What are the key properties of bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate?
bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 358.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 163744531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).