methyl-tris(3-methylheptan-3-yloxy)silane

C25H54O3Si — CID 88709183

IUPACmethyl-tris(3-methylheptan-3-yloxy)silane
SMILESCCCCC(C)(CC)O[Si](C)(OC(C)(CC)CCCC)OC(C)(CC)CCCC
InChIInChI=1S/C25H54O3Si/c1-11-17-20-23(7,14-4)26-29(10,27-24(8,15-5)21-18-12-2)28-25(9,16-6)22-19-13-3/h11-22H2,1-10H3
InChIKeyKGAABZLVUYDTRT-UHFFFAOYSA-N
MW430.79 g/mol
LogP8.68
Rot. Bonds18

About methyl-tris(3-methylheptan-3-yloxy)silane

methyl-tris(3-methylheptan-3-yloxy)silane (PubChem CID 88709183) has the molecular formula C25H54O3Si and a molecular weight of 430.79 g/mol. Its IUPAC name is methyl-tris(3-methylheptan-3-yloxy)silane.

Molecular Properties

Compound Namemethyl-tris(3-methylheptan-3-yloxy)silane
PubChem CID88709183
Molecular FormulaC25H54O3Si
Molecular Weight430.79 g/mol
Exact Mass430.38
IUPAC Namemethyl-tris(3-methylheptan-3-yloxy)silane
SMILESCCCCC(C)(CC)O[Si](C)(OC(C)(CC)CCCC)OC(C)(CC)CCCC
InChIInChI=1S/C25H54O3Si/c1-11-17-20-23(7,14-4)26-29(10,27-24(8,15-5)21-18-12-2)28-25(9,16-6)22-19-13-3/h11-22H2,1-10H3
InChIKeyKGAABZLVUYDTRT-UHFFFAOYSA-N
XLogP8.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.79
LogP ≤ 58.68
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 methyl-tris(3-methylheptan-3-yloxy)silane?
The IUPAC name of methyl-tris(3-methylheptan-3-yloxy)silane (CID 88709183) is methyl-tris(3-methylheptan-3-yloxy)silane.
What is the SMILES notation for methyl-tris(3-methylheptan-3-yloxy)silane?
The canonical SMILES for methyl-tris(3-methylheptan-3-yloxy)silane is CCCCC(C)(CC)O[Si](C)(OC(C)(CC)CCCC)OC(C)(CC)CCCC.
What is the InChIKey of methyl-tris(3-methylheptan-3-yloxy)silane?
The InChIKey is KGAABZLVUYDTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O3Si/c1-11-17-20-23(7,14-4)26-29(10,27-24(8,15-5)21-18-12-2)28-25(9,16-6)22-19-13-3/h11-22H2,1-10H3.
What are the key properties of methyl-tris(3-methylheptan-3-yloxy)silane?
methyl-tris(3-methylheptan-3-yloxy)silane has a molecular weight of 430.79 g/mol, XLogP of 8.68, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(3-methylheptan-3-yloxy)silane is sourced from PubChem (CID 88709183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).