methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate

C38H44O6Si2 — CID 158941285

IUPACmethyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CC(=O)Oc1c(C(=O)OC)c2c(c3ccccc13)OC(c1ccccc1)(c1ccc(C)cc1)C=C2
InChIInChI=1S/C38H44O6Si2/c1-8-9-25-45(4,5)44-46(6,7)26-33(39)42-36-31-18-14-13-17-30(31)35-32(34(36)37(40)41-3)23-24-38(43-35,28-15-11-10-12-16-28)29-21-19-27(2)20-22-29/h10-24H,8-9,25-26H2,1-7H3
InChIKeyIYULJDWRIYRHED-UHFFFAOYSA-N
MW652.94 g/mol
LogP9.42
Rot. Bonds11

About methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate

methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate (PubChem CID 158941285) has the molecular formula C38H44O6Si2 and a molecular weight of 652.94 g/mol. Its IUPAC name is methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate
PubChem CID158941285
Molecular FormulaC38H44O6Si2
Molecular Weight652.94 g/mol
Exact Mass652.27
IUPAC Namemethyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CC(=O)Oc1c(C(=O)OC)c2c(c3ccccc13)OC(c1ccccc1)(c1ccc(C)cc1)C=C2
InChIInChI=1S/C38H44O6Si2/c1-8-9-25-45(4,5)44-46(6,7)26-33(39)42-36-31-18-14-13-17-30(31)35-32(34(36)37(40)41-3)23-24-38(43-35,28-15-11-10-12-16-28)29-21-19-27(2)20-22-29/h10-24H,8-9,25-26H2,1-7H3
InChIKeyIYULJDWRIYRHED-UHFFFAOYSA-N
XLogP9.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.94
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate with MolForge

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Related Compounds

methyl 6-acetyloxy-2,2-diphenylbenzo[h]chromene-5-carboxylate
CID 15332725
methyl 6-(2-methylpropanoyloxy)-2,2-diphenylbenzo[h]chromene-5-carboxylate
CID 18916132
methyl 2-(4-methoxyphenyl)-6-(2-methylprop-2-enoyloxy)-2-phenylbenzo[h]chromene-5-carboxylate
CID 102424347
methyl 11-methyl-3,3-diphenylnaphtho[1,2-h]chromene-12-carboxylate
CID 22412475
4-O-[2-[2,2-bis(4-methoxyphenyl)-6-phenylbenzo[h]chromene-5-carbonyl]oxyethyl] 1-O-[2-[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propoxy]ethyl] butanedioate
CID 58309308
methyl 2-[4-(diethylamino)phenyl]-6-[4-(4-pentylphenyl)phenyl]-2-phenylbenzo[h]chromene-5-carboxylate
CID 58274171
methyl 6-acetyloxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate
CID 23371125
2-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxyethyl 9-(dimethylamino)-2,2-bis[4-(dimethylamino)phenyl]benzo[h]chromene-5-carboxylate
CID 58912273
cyclopropyl 6-acetyloxy-2,2-diphenylbenzo[h]chromene-5-carboxylate
CID 15539229
ethyl 2,2,5-triphenylbenzo[h]chromene-6-carboxylate
CID 18316931
[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane
CID 158417286
methyl 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-6-[2-(2-methylprop-2-enylperoxy)ethoxy]-2-phenylbenzo[h]chromene-5-carboxylate
CID 166731002

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate (CID 158941285) is methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate is CCCC[Si](C)(C)O[Si](C)(C)CC(=O)Oc1c(C(=O)OC)c2c(c3ccccc13)OC(c1ccccc1)(c1ccc(C)cc1)C=C2.
What is the InChIKey of methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate?
The InChIKey is IYULJDWRIYRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44O6Si2/c1-8-9-25-45(4,5)44-46(6,7)26-33(39)42-36-31-18-14-13-17-30(31)35-32(34(36)37(40)41-3)23-24-38(43-35,28-15-11-10-12-16-28)29-21-19-27(2)20-22-29/h10-24H,8-9,25-26H2,1-7H3.
What are the key properties of methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate?
methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate has a molecular weight of 652.94 g/mol, XLogP of 9.42, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate is sourced from PubChem (CID 158941285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).