[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate

C47H64O6Si — CID 153276925

IUPAC[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc(COC(=O)C(=C)C)c1[Si](C)(C)CCCC(CO)CO
InChIInChI=1S/C47H64O6Si/c1-8-9-10-12-35-14-16-37(17-15-35)38-18-20-39(21-19-38)40-22-24-41(25-23-40)42-27-43(31-52-46(50)33(2)3)45(44(28-42)32-53-47(51)34(4)5)54(6,7)26-11-13-36(29-48)30-49/h18-25,27-28,35-37,48-49H,2,4,8-17,26,29-32H2,1,3,5-7H3
InChIKeyDYDGYHCGIRHUSN-UHFFFAOYSA-N
MW753.11 g/mol
LogP10.41
Rot. Bonds20

About [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate

[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate (PubChem CID 153276925) has the molecular formula C47H64O6Si and a molecular weight of 753.11 g/mol. Its IUPAC name is [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
PubChem CID153276925
Molecular FormulaC47H64O6Si
Molecular Weight753.11 g/mol
Exact Mass752.45
IUPAC Name[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc(COC(=O)C(=C)C)c1[Si](C)(C)CCCC(CO)CO
InChIInChI=1S/C47H64O6Si/c1-8-9-10-12-35-14-16-37(17-15-35)38-18-20-39(21-19-38)40-22-24-41(25-23-40)42-27-43(31-52-46(50)33(2)3)45(44(28-42)32-53-47(51)34(4)5)54(6,7)26-11-13-36(29-48)30-49/h18-25,27-28,35-37,48-49H,2,4,8-17,26,29-32H2,1,3,5-7H3
InChIKeyDYDGYHCGIRHUSN-UHFFFAOYSA-N
XLogP10.41
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.11
LogP ≤ 510.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277148
[5-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]phenyl]methyl 2-methylprop-2-enoate
CID 147607622
3-[5-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-2-[4-hydroxy-3-(hydroxymethyl)butyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193477
2-[5-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-2-[4-hydroxy-3-(hydroxymethyl)butoxy]phenyl]ethyl 2-methylprop-2-enoate
CID 138735535
2-[2-(2-hydroxyethyl)-5-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134193326
[5-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-[3-hydroxypropyl(dimethyl)silyl]phenyl]methyl 2-methylprop-2-enoate
CID 153277125
3-[2-[4-hydroxy-3-(hydroxymethyl)butoxy]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134526980
2-[2-[2-(dimethylamino)ethyl]-5-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134193485
[3-hydroxy-2-[4-(4-pentylcyclohexyl)phenyl]propyl] 2-methylprop-2-enoate
CID 134244724
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(hydroxymethyl)butyl] 2-methylprop-2-enoate
CID 145411758
3-[2-[5-hydroxy-4-(hydroxymethyl)pentoxy]-3-[3-(2-methylprop-2-enoyloxy)propyl]-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134526946
[2-(2-methylprop-2-enoyloxymethyl)-3-[4-(4-pentylcyclohexyl)phenoxy]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 138529515

Frequently Asked Questions

What is the IUPAC name of [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate (CID 153276925) is [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc(COC(=O)C(=C)C)c1[Si](C)(C)CCCC(CO)CO.
What is the InChIKey of [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is DYDGYHCGIRHUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H64O6Si/c1-8-9-10-12-35-14-16-37(17-15-35)38-18-20-39(21-19-38)40-22-24-41(25-23-40)42-27-43(31-52-46(50)33(2)3)45(44(28-42)32-53-47(51)34(4)5)54(6,7)26-11-13-36(29-48)30-49/h18-25,27-28,35-37,48-49H,2,4,8-17,26,29-32H2,1,3,5-7H3.
What are the key properties of [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate?
[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 753.11 g/mol, XLogP of 10.41, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 153276925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).