[1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate

C27H30O7 — CID 141253649

IUPAC[1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)(Cc1ccc(OC)cc1)C(=O)C(C)(Cc1ccc(OC)cc1)OC(=O)C=C
InChIInChI=1S/C27H30O7/c1-7-23(28)33-26(3,17-19-9-13-21(31-5)14-10-19)25(30)27(4,34-24(29)8-2)18-20-11-15-22(32-6)16-12-20/h7-16H,1-2,17-18H2,3-6H3
InChIKeyPIVBMCHZUKJWGO-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.03
Rot. Bonds12

About [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate

[1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate (PubChem CID 141253649) has the molecular formula C27H30O7 and a molecular weight of 466.53 g/mol. Its IUPAC name is [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
PubChem CID141253649
Molecular FormulaC27H30O7
Molecular Weight466.53 g/mol
Exact Mass466.20
IUPAC Name[1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)(Cc1ccc(OC)cc1)C(=O)C(C)(Cc1ccc(OC)cc1)OC(=O)C=C
InChIInChI=1S/C27H30O7/c1-7-23(28)33-26(3,17-19-9-13-21(31-5)14-10-19)25(30)27(4,34-24(29)8-2)18-20-11-15-22(32-6)16-12-20/h7-16H,1-2,17-18H2,3-6H3
InChIKeyPIVBMCHZUKJWGO-UHFFFAOYSA-N
XLogP4.03
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate with MolForge

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Related Compounds

2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
tert-butyl 3-(4-prop-2-enoyloxyphenyl)propanoate
CID 68930141
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
CID 79129241
3-ethenyl-3-[(4-methoxyphenyl)methyl]hexan-2-one
CID 54439154

Frequently Asked Questions

What is the IUPAC name of [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
The IUPAC name of [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate (CID 141253649) is [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate.
What is the SMILES notation for [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
The canonical SMILES for [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate is C=CC(=O)OC(C)(Cc1ccc(OC)cc1)C(=O)C(C)(Cc1ccc(OC)cc1)OC(=O)C=C.
What is the InChIKey of [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
The InChIKey is PIVBMCHZUKJWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O7/c1-7-23(28)33-26(3,17-19-9-13-21(31-5)14-10-19)25(30)27(4,34-24(29)8-2)18-20-11-15-22(32-6)16-12-20/h7-16H,1-2,17-18H2,3-6H3.
What are the key properties of [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
[1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate has a molecular weight of 466.53 g/mol, XLogP of 4.03, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate is sourced from PubChem (CID 141253649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).