[4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate

C20H28O6 — CID 54258663

IUPAC[4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate
SMILESC=CC(=O)OCCCC(=O)C1CCC(C(=O)CCCOC(=O)C=C)CC1
InChIInChI=1S/C20H28O6/c1-3-19(23)25-13-5-7-17(21)15-9-11-16(12-10-15)18(22)8-6-14-26-20(24)4-2/h3-4,15-16H,1-2,5-14H2
InChIKeyRBXCMHYKJAQQCL-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.95
Rot. Bonds12

About [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate

[4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate (PubChem CID 54258663) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate.

Molecular Properties

Compound Name[4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate
PubChem CID54258663
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name[4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate
SMILESC=CC(=O)OCCCC(=O)C1CCC(C(=O)CCCOC(=O)C=C)CC1
InChIInChI=1S/C20H28O6/c1-3-19(23)25-13-5-7-17(21)15-9-11-16(12-10-15)18(22)8-6-14-26-20(24)4-2/h3-4,15-16H,1-2,5-14H2
InChIKeyRBXCMHYKJAQQCL-UHFFFAOYSA-N
XLogP2.95
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.95
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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Related Compounds

4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 146495974
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-(6-prop-2-enoyloxyhexoxycarbonyl)cyclohexane-1-carboxylic acid
CID 121346810
ethyl 4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexane-1-carboxylate
CID 149289083
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
4-[3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoyl]cyclohexane-1-carboxylic acid
CID 135188765
[(1S,2S,3S,4R)-2,3,4-tris(5-prop-2-enoyloxypentanoyloxy)cyclohexyl] 5-prop-2-enoyloxypentanoate
CID 118406595
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate?
The IUPAC name of [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate (CID 54258663) is [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate.
What is the SMILES notation for [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate?
The canonical SMILES for [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate is C=CC(=O)OCCCC(=O)C1CCC(C(=O)CCCOC(=O)C=C)CC1.
What is the InChIKey of [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate?
The InChIKey is RBXCMHYKJAQQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6/c1-3-19(23)25-13-5-7-17(21)15-9-11-16(12-10-15)18(22)8-6-14-26-20(24)4-2/h3-4,15-16H,1-2,5-14H2.
What are the key properties of [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate?
[4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate has a molecular weight of 364.44 g/mol, XLogP of 2.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate is sourced from PubChem (CID 54258663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).