methane;phenyl-tris(2-silyloxan-2-yl)silane

C27H62O3Si4 — CID 173383865

IUPACmethane;phenyl-tris(2-silyloxan-2-yl)silane
SMILESC.C.C.C.C.C.[SiH3]C1([Si](c2ccccc2)(C2([SiH3])CCCCO2)C2([SiH3])CCCCO2)CCCCO1
InChIInChI=1S/C21H38O3Si4.6CH4/c25-19(12-4-7-15-22-19)28(18-10-2-1-3-11-18,20(26)13-5-8-16-23-20)21(27)14-6-9-17-24-21;;;;;;/h1-3,10-11H,4-9,12-17H2,25-27H3;6*1H4
InChIKeyMZNMJJXCPUAUGF-UHFFFAOYSA-N
MW547.13 g/mol
LogP3.56
Rot. Bonds4

About methane;phenyl-tris(2-silyloxan-2-yl)silane

methane;phenyl-tris(2-silyloxan-2-yl)silane (PubChem CID 173383865) has the molecular formula C27H62O3Si4 and a molecular weight of 547.13 g/mol. Its IUPAC name is methane;phenyl-tris(2-silyloxan-2-yl)silane.

Molecular Properties

Compound Namemethane;phenyl-tris(2-silyloxan-2-yl)silane
PubChem CID173383865
Molecular FormulaC27H62O3Si4
Molecular Weight547.13 g/mol
Exact Mass546.38
IUPAC Namemethane;phenyl-tris(2-silyloxan-2-yl)silane
SMILESC.C.C.C.C.C.[SiH3]C1([Si](c2ccccc2)(C2([SiH3])CCCCO2)C2([SiH3])CCCCO2)CCCCO1
InChIInChI=1S/C21H38O3Si4.6CH4/c25-19(12-4-7-15-22-19)28(18-10-2-1-3-11-18,20(26)13-5-8-16-23-20)21(27)14-6-9-17-24-21;;;;;;/h1-3,10-11H,4-9,12-17H2,25-27H3;6*1H4
InChIKeyMZNMJJXCPUAUGF-UHFFFAOYSA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methane;phenyl-tris(2-silyloxan-2-yl)silane?
The IUPAC name of methane;phenyl-tris(2-silyloxan-2-yl)silane (CID 173383865) is methane;phenyl-tris(2-silyloxan-2-yl)silane.
What is the SMILES notation for methane;phenyl-tris(2-silyloxan-2-yl)silane?
The canonical SMILES for methane;phenyl-tris(2-silyloxan-2-yl)silane is C.C.C.C.C.C.[SiH3]C1([Si](c2ccccc2)(C2([SiH3])CCCCO2)C2([SiH3])CCCCO2)CCCCO1.
What is the InChIKey of methane;phenyl-tris(2-silyloxan-2-yl)silane?
The InChIKey is MZNMJJXCPUAUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3Si4.6CH4/c25-19(12-4-7-15-22-19)28(18-10-2-1-3-11-18,20(26)13-5-8-16-23-20)21(27)14-6-9-17-24-21;;;;;;/h1-3,10-11H,4-9,12-17H2,25-27H3;6*1H4.
What are the key properties of methane;phenyl-tris(2-silyloxan-2-yl)silane?
methane;phenyl-tris(2-silyloxan-2-yl)silane has a molecular weight of 547.13 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phenyl-tris(2-silyloxan-2-yl)silane is sourced from PubChem (CID 173383865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).