trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane

C20H40O4Si3 — CID 91699436

IUPACtrimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane
SMILESC[Si](C)(C)OCC(OCc1ccccc1)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H40O4Si3/c1-25(2,3)22-16-19(21-15-18-13-11-10-12-14-18)20(24-27(7,8)9)17-23-26(4,5)6/h10-14,19-20H,15-17H2,1-9H3
InChIKeyKFXCCDLTWJNIKQ-UHFFFAOYSA-N
MW428.79 g/mol
LogP5.49
Rot. Bonds12

About trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane

trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane (PubChem CID 91699436) has the molecular formula C20H40O4Si3 and a molecular weight of 428.79 g/mol. Its IUPAC name is trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane
PubChem CID91699436
Molecular FormulaC20H40O4Si3
Molecular Weight428.79 g/mol
Exact Mass428.22
IUPAC Nametrimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane
SMILESC[Si](C)(C)OCC(OCc1ccccc1)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H40O4Si3/c1-25(2,3)22-16-19(21-15-18-13-11-10-12-14-18)20(24-27(7,8)9)17-23-26(4,5)6/h10-14,19-20H,15-17H2,1-9H3
InChIKeyKFXCCDLTWJNIKQ-UHFFFAOYSA-N
XLogP5.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.79
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane?
The IUPAC name of trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane (CID 91699436) is trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane is C[Si](C)(C)OCC(OCc1ccccc1)C(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane?
The InChIKey is KFXCCDLTWJNIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si3/c1-25(2,3)22-16-19(21-15-18-13-11-10-12-14-18)20(24-27(7,8)9)17-23-26(4,5)6/h10-14,19-20H,15-17H2,1-9H3.
What are the key properties of trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane?
trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane has a molecular weight of 428.79 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-phenylmethoxy-1,4-bis(trimethylsilyloxy)butan-2-yl]oxysilane is sourced from PubChem (CID 91699436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).