trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane

C27H54O2Si3 — CID 123196853

IUPACtrimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane
SMILESCCCCC(CC)(O[Si](C)(c1ccccc1)C(CCC)(CCC)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C27H54O2Si3/c1-12-16-24-26(15-4,30(5,6)7)29-32(11,25-20-18-17-19-21-25)27(22-13-2,23-14-3)28-31(8,9)10/h17-21H,12-16,22-24H2,1-11H3
InChIKeyFENHXIMHNVCNLC-UHFFFAOYSA-N
MW494.99 g/mol
LogP8.43
Rot. Bonds15

About trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane

trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane (PubChem CID 123196853) has the molecular formula C27H54O2Si3 and a molecular weight of 494.99 g/mol. Its IUPAC name is trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane
PubChem CID123196853
Molecular FormulaC27H54O2Si3
Molecular Weight494.99 g/mol
Exact Mass494.34
IUPAC Nametrimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane
SMILESCCCCC(CC)(O[Si](C)(c1ccccc1)C(CCC)(CCC)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C27H54O2Si3/c1-12-16-24-26(15-4,30(5,6)7)29-32(11,25-20-18-17-19-21-25)27(22-13-2,23-14-3)28-31(8,9)10/h17-21H,12-16,22-24H2,1-11H3
InChIKeyFENHXIMHNVCNLC-UHFFFAOYSA-N
XLogP8.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.99
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane?
The IUPAC name of trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane (CID 123196853) is trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane.
What is the SMILES notation for trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane?
The canonical SMILES for trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane is CCCCC(CC)(O[Si](C)(c1ccccc1)C(CCC)(CCC)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane?
The InChIKey is FENHXIMHNVCNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si3/c1-12-16-24-26(15-4,30(5,6)7)29-32(11,25-20-18-17-19-21-25)27(22-13-2,23-14-3)28-31(8,9)10/h17-21H,12-16,22-24H2,1-11H3.
What are the key properties of trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane?
trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane has a molecular weight of 494.99 g/mol, XLogP of 8.43, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[methyl-phenyl-(4-trimethylsilyloxyheptan-4-yl)silyl]oxyheptan-3-yl]silane is sourced from PubChem (CID 123196853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).