[5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate

C24H36O6 — CID 54057028

IUPAC[5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(=O)C1CCC(C(=O)CCCCOC(=O)C(=C)C)CC1
InChIInChI=1S/C24H36O6/c1-17(2)23(27)29-15-7-5-9-21(25)19-11-13-20(14-12-19)22(26)10-6-8-16-30-24(28)18(3)4/h19-20H,1,3,5-16H2,2,4H3
InChIKeyLWYZEMCONDAORM-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.51
Rot. Bonds14

About [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate

[5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate (PubChem CID 54057028) has the molecular formula C24H36O6 and a molecular weight of 420.55 g/mol. Its IUPAC name is [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate
PubChem CID54057028
Molecular FormulaC24H36O6
Molecular Weight420.55 g/mol
Exact Mass420.25
IUPAC Name[5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(=O)C1CCC(C(=O)CCCCOC(=O)C(=C)C)CC1
InChIInChI=1S/C24H36O6/c1-17(2)23(27)29-15-7-5-9-21(25)19-11-13-20(14-12-19)22(26)10-6-8-16-30-24(28)18(3)4/h19-20H,1,3,5-16H2,2,4H3
InChIKeyLWYZEMCONDAORM-UHFFFAOYSA-N
XLogP4.51
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate (CID 54057028) is [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC(=O)C1CCC(C(=O)CCCCOC(=O)C(=C)C)CC1.
What is the InChIKey of [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate?
The InChIKey is LWYZEMCONDAORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O6/c1-17(2)23(27)29-15-7-5-9-21(25)19-11-13-20(14-12-19)22(26)10-6-8-16-30-24(28)18(3)4/h19-20H,1,3,5-16H2,2,4H3.
What are the key properties of [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate?
[5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate has a molecular weight of 420.55 g/mol, XLogP of 4.51, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[5-(2-methylprop-2-enoyloxy)pentanoyl]cyclohexyl]-5-oxopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54057028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).