hydroxy-tris(5-methylhexyl)silane

C21H46OSi — CID 19904619

IUPAChydroxy-tris(5-methylhexyl)silane
SMILESCC(C)CCCC[Si](O)(CCCCC(C)C)CCCCC(C)C
InChIInChI=1S/C21H46OSi/c1-19(2)13-7-10-16-23(22,17-11-8-14-20(3)4)18-12-9-15-21(5)6/h19-22H,7-18H2,1-6H3
InChIKeyIZVPJHBBIMWWQC-UHFFFAOYSA-N
MW342.68 g/mol
LogP7.40
Rot. Bonds15

About hydroxy-tris(5-methylhexyl)silane

hydroxy-tris(5-methylhexyl)silane (PubChem CID 19904619) has the molecular formula C21H46OSi and a molecular weight of 342.68 g/mol. Its IUPAC name is hydroxy-tris(5-methylhexyl)silane.

Molecular Properties

Compound Namehydroxy-tris(5-methylhexyl)silane
PubChem CID19904619
Molecular FormulaC21H46OSi
Molecular Weight342.68 g/mol
Exact Mass342.33
IUPAC Namehydroxy-tris(5-methylhexyl)silane
SMILESCC(C)CCCC[Si](O)(CCCCC(C)C)CCCCC(C)C
InChIInChI=1S/C21H46OSi/c1-19(2)13-7-10-16-23(22,17-11-8-14-20(3)4)18-12-9-15-21(5)6/h19-22H,7-18H2,1-6H3
InChIKeyIZVPJHBBIMWWQC-UHFFFAOYSA-N
XLogP7.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.68
LogP ≤ 57.40
H-Bond Donors ≤ 51
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 hydroxy-tris(5-methylhexyl)silane?
The IUPAC name of hydroxy-tris(5-methylhexyl)silane (CID 19904619) is hydroxy-tris(5-methylhexyl)silane.
What is the SMILES notation for hydroxy-tris(5-methylhexyl)silane?
The canonical SMILES for hydroxy-tris(5-methylhexyl)silane is CC(C)CCCC[Si](O)(CCCCC(C)C)CCCCC(C)C.
What is the InChIKey of hydroxy-tris(5-methylhexyl)silane?
The InChIKey is IZVPJHBBIMWWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OSi/c1-19(2)13-7-10-16-23(22,17-11-8-14-20(3)4)18-12-9-15-21(5)6/h19-22H,7-18H2,1-6H3.
What are the key properties of hydroxy-tris(5-methylhexyl)silane?
hydroxy-tris(5-methylhexyl)silane has a molecular weight of 342.68 g/mol, XLogP of 7.40, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tris(5-methylhexyl)silane is sourced from PubChem (CID 19904619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).