(4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate

C23H32O6Si — CID 101407909

IUPAC(4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(OCCCCCC[Si](C)(OC)OC)cc2)cc1
InChIInChI=1S/C23H32O6Si/c1-25-20-13-15-22(16-14-20)29-23(24)19-9-11-21(12-10-19)28-17-7-5-6-8-18-30(4,26-2)27-3/h9-16H,5-8,17-18H2,1-4H3
InChIKeyQTPDKWSCZCFXKZ-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.22
Rot. Bonds13

About (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate

(4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate (PubChem CID 101407909) has the molecular formula C23H32O6Si and a molecular weight of 432.59 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate
PubChem CID101407909
Molecular FormulaC23H32O6Si
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name(4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(OCCCCCC[Si](C)(OC)OC)cc2)cc1
InChIInChI=1S/C23H32O6Si/c1-25-20-13-15-22(16-14-20)29-23(24)19-9-11-21(12-10-19)28-17-7-5-6-8-18-30(4,26-2)27-3/h9-16H,5-8,17-18H2,1-4H3
InChIKeyQTPDKWSCZCFXKZ-UHFFFAOYSA-N
XLogP5.22
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.22
H-Bond Donors ≤ 50
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': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 4-[11-[dimethyl-[tris[11-[4-(4-methoxyphenoxy)carbonylphenoxy]undecyl-dimethylsilyl]methyl]silyl]undecoxy]benzoate
CID 101015178
(4-methoxyphenyl) 4-(6-methoxyhexoxy)benzoate
CID 142377359
(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
CID 100957753
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439
(4-methoxyphenyl) 4-hexadecoxybenzoate
CID 4038467
(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479
(4-propoxyphenyl) 4-(5-trimethylsilylpentoxy)benzoate
CID 14847881
[4-[8-[dihydroxy(methyl)silyl]octoxy]phenyl] 4-hexoxybenzoate
CID 177406775
[4-[11-[ethyl(dimethyl)silyl]undecoxy]phenyl] 4-octoxybenzoate
CID 14744873
(4-heptoxyphenyl) 4-heptoxybenzoate
CID 71365288
(4-decoxyphenyl) 4-[7-[4-(4-decoxyphenoxy)carbonylphenoxy]heptoxy]benzoate
CID 102342037
[4-(4-undecoxybenzoyl)oxyphenyl] 4-undecoxybenzoate
CID 101367520

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate?
The IUPAC name of (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate (CID 101407909) is (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate?
The canonical SMILES for (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate is COc1ccc(OC(=O)c2ccc(OCCCCCC[Si](C)(OC)OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate?
The InChIKey is QTPDKWSCZCFXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O6Si/c1-25-20-13-15-22(16-14-20)29-23(24)19-9-11-21(12-10-19)28-17-7-5-6-8-18-30(4,26-2)27-3/h9-16H,5-8,17-18H2,1-4H3.
What are the key properties of (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate?
(4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate has a molecular weight of 432.59 g/mol, XLogP of 5.22, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate is sourced from PubChem (CID 101407909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).