trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate

C31H40O6Si — CID 22886590

IUPACtrimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate
SMILESCOc1ccc(C(OC)(c2ccc(OC)cc2)c2ccc(OCCCCCC(=O)O[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C31H40O6Si/c1-33-27-17-11-24(12-18-27)31(35-3,25-13-19-28(34-2)20-14-25)26-15-21-29(22-16-26)36-23-9-7-8-10-30(32)37-38(4,5)6/h11-22H,7-10,23H2,1-6H3
InChIKeyWMEMJWCNDAIXGY-UHFFFAOYSA-N
MW536.74 g/mol
LogP6.96
Rot. Bonds14

About trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate

trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate (PubChem CID 22886590) has the molecular formula C31H40O6Si and a molecular weight of 536.74 g/mol. Its IUPAC name is trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate
PubChem CID22886590
Molecular FormulaC31H40O6Si
Molecular Weight536.74 g/mol
Exact Mass536.26
IUPAC Nametrimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate
SMILESCOc1ccc(C(OC)(c2ccc(OC)cc2)c2ccc(OCCCCCC(=O)O[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C31H40O6Si/c1-33-27-17-11-24(12-18-27)31(35-3,25-13-19-28(34-2)20-14-25)26-15-21-29(22-16-26)36-23-9-7-8-10-30(32)37-38(4,5)6/h11-22H,7-10,23H2,1-6H3
InChIKeyWMEMJWCNDAIXGY-UHFFFAOYSA-N
XLogP6.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.74
LogP ≤ 56.96
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate?
The IUPAC name of trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate (CID 22886590) is trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate.
What is the SMILES notation for trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate?
The canonical SMILES for trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate is COc1ccc(C(OC)(c2ccc(OC)cc2)c2ccc(OCCCCCC(=O)O[Si](C)(C)C)cc2)cc1.
What is the InChIKey of trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate?
The InChIKey is WMEMJWCNDAIXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40O6Si/c1-33-27-17-11-24(12-18-27)31(35-3,25-13-19-28(34-2)20-14-25)26-15-21-29(22-16-26)36-23-9-7-8-10-30(32)37-38(4,5)6/h11-22H,7-10,23H2,1-6H3.
What are the key properties of trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate?
trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate has a molecular weight of 536.74 g/mol, XLogP of 6.96, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate is sourced from PubChem (CID 22886590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).