tris(2-methylpropyl)-(3-phenylpropoxy)silane

C21H38OSi — CID 613606

IUPACtris(2-methylpropyl)-(3-phenylpropoxy)silane
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OCCCc1ccccc1
InChIInChI=1S/C21H38OSi/c1-18(2)15-23(16-19(3)4,17-20(5)6)22-14-10-13-21-11-8-7-9-12-21/h7-9,11-12,18-20H,10,13-17H2,1-6H3
InChIKeyDCDCGCWLJQAJKN-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.55
Rot. Bonds11

About tris(2-methylpropyl)-(3-phenylpropoxy)silane

tris(2-methylpropyl)-(3-phenylpropoxy)silane (PubChem CID 613606) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tris(2-methylpropyl)-(3-phenylpropoxy)silane.

Molecular Properties

Compound Nametris(2-methylpropyl)-(3-phenylpropoxy)silane
PubChem CID613606
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametris(2-methylpropyl)-(3-phenylpropoxy)silane
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OCCCc1ccccc1
InChIInChI=1S/C21H38OSi/c1-18(2)15-23(16-19(3)4,17-20(5)6)22-14-10-13-21-11-8-7-9-12-21/h7-9,11-12,18-20H,10,13-17H2,1-6H3
InChIKeyDCDCGCWLJQAJKN-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-(3-phenylpropoxy)silane?
The IUPAC name of tris(2-methylpropyl)-(3-phenylpropoxy)silane (CID 613606) is tris(2-methylpropyl)-(3-phenylpropoxy)silane.
What is the SMILES notation for tris(2-methylpropyl)-(3-phenylpropoxy)silane?
The canonical SMILES for tris(2-methylpropyl)-(3-phenylpropoxy)silane is CC(C)C[Si](CC(C)C)(CC(C)C)OCCCc1ccccc1.
What is the InChIKey of tris(2-methylpropyl)-(3-phenylpropoxy)silane?
The InChIKey is DCDCGCWLJQAJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-18(2)15-23(16-19(3)4,17-20(5)6)22-14-10-13-21-11-8-7-9-12-21/h7-9,11-12,18-20H,10,13-17H2,1-6H3.
What are the key properties of tris(2-methylpropyl)-(3-phenylpropoxy)silane?
tris(2-methylpropyl)-(3-phenylpropoxy)silane has a molecular weight of 334.62 g/mol, XLogP of 6.55, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-(3-phenylpropoxy)silane is sourced from PubChem (CID 613606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).