[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate

C18H24O6 — CID 90972924

IUPAC[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)C1CCCCC1C(=O)CCOC(=O)C=C
InChIInChI=1S/C18H24O6/c1-3-17(21)23-11-9-15(19)13-7-5-6-8-14(13)16(20)10-12-24-18(22)4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyNTWGLWDKDBIGCP-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.17
Rot. Bonds10

About [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate

[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate (PubChem CID 90972924) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate.

Molecular Properties

Compound Name[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
PubChem CID90972924
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)C1CCCCC1C(=O)CCOC(=O)C=C
InChIInChI=1S/C18H24O6/c1-3-17(21)23-11-9-15(19)13-7-5-6-8-14(13)16(20)10-12-24-18(22)4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyNTWGLWDKDBIGCP-UHFFFAOYSA-N
XLogP2.17
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate with MolForge

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Related Compounds

2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174724217
[4-oxo-4-[4-(4-prop-2-enoyloxybutanoyl)cyclohexyl]butyl] prop-2-enoate
CID 54258663
2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
CID 54300292
3-prop-2-enoyloxypropanoate;zirconium(4+)
CID 172701120
2-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate
CID 142728957
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375

Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate?
The IUPAC name of [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate (CID 90972924) is [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate.
What is the SMILES notation for [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate?
The canonical SMILES for [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate is C=CC(=O)OCCC(=O)C1CCCCC1C(=O)CCOC(=O)C=C.
What is the InChIKey of [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate?
The InChIKey is NTWGLWDKDBIGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6/c1-3-17(21)23-11-9-15(19)13-7-5-6-8-14(13)16(20)10-12-24-18(22)4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate?
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate has a molecular weight of 336.38 g/mol, XLogP of 2.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate is sourced from PubChem (CID 90972924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).