methanol;trichloro(hexyl)silane;trichloro(phenyl)silane

C13H22Cl6OSi2 — CID 91668068

IUPACmethanol;trichloro(hexyl)silane;trichloro(phenyl)silane
SMILESCCCCCC[Si](Cl)(Cl)Cl.CO.Cl[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C6H5Cl3Si.C6H13Cl3Si.CH4O/c7-10(8,9)6-4-2-1-3-5-6;1-2-3-4-5-6-10(7,8)9;1-2/h1-5H;2-6H2,1H3;2H,1H3
InChIKeyNRIMVILAKRTJRM-UHFFFAOYSA-N
MW463.21 g/mol
LogP6.38
Rot. Bonds6

About methanol;trichloro(hexyl)silane;trichloro(phenyl)silane

methanol;trichloro(hexyl)silane;trichloro(phenyl)silane (PubChem CID 91668068) has the molecular formula C13H22Cl6OSi2 and a molecular weight of 463.21 g/mol. Its IUPAC name is methanol;trichloro(hexyl)silane;trichloro(phenyl)silane.

Molecular Properties

Compound Namemethanol;trichloro(hexyl)silane;trichloro(phenyl)silane
PubChem CID91668068
Molecular FormulaC13H22Cl6OSi2
Molecular Weight463.21 g/mol
Exact Mass459.93
IUPAC Namemethanol;trichloro(hexyl)silane;trichloro(phenyl)silane
SMILESCCCCCC[Si](Cl)(Cl)Cl.CO.Cl[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C6H5Cl3Si.C6H13Cl3Si.CH4O/c7-10(8,9)6-4-2-1-3-5-6;1-2-3-4-5-6-10(7,8)9;1-2/h1-5H;2-6H2,1H3;2H,1H3
InChIKeyNRIMVILAKRTJRM-UHFFFAOYSA-N
XLogP6.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.21
LogP ≤ 56.38
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1,4-bis(chlorodimethylsilyl)-
CID 70650
[Dimethyl(phenyl)silyl]methanol
CID 4613399
Trichloro(methyl)silane--trichloro(phenyl)silane (1/1)
CID 168440
Dichloro(dimethyl)silane--trichloro(phenyl)silane (1/1)
CID 168787
(1-Hydroxyethyl)dimethyl(phenyl)silane
CID 262870
3-[Dimethyl(phenyl)silyl]propan-1-ol
CID 2755274
2-Propen-1-ol, 3-(dimethylphenylsilyl)-, (2E)-
CID 9990165
Silane, 1,3,5-benzenetriyltris[chlorodimethyl-
CID 11222002
Dichloro(dimethyl)silane;trichloro(methyl)silane;trichloro(phenyl)silane
CID 168420
(E)-4-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 10750814
4-[Dimethyl(phenyl)silyl]pent-4-en-1-ol
CID 11964192
(E)-4-[dimethyl(phenyl)silyl]pent-3-en-1-ol
CID 13667200

Frequently Asked Questions

What is the IUPAC name of methanol;trichloro(hexyl)silane;trichloro(phenyl)silane?
The IUPAC name of methanol;trichloro(hexyl)silane;trichloro(phenyl)silane (CID 91668068) is methanol;trichloro(hexyl)silane;trichloro(phenyl)silane.
What is the SMILES notation for methanol;trichloro(hexyl)silane;trichloro(phenyl)silane?
The canonical SMILES for methanol;trichloro(hexyl)silane;trichloro(phenyl)silane is CCCCCC[Si](Cl)(Cl)Cl.CO.Cl[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of methanol;trichloro(hexyl)silane;trichloro(phenyl)silane?
The InChIKey is NRIMVILAKRTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3Si.C6H13Cl3Si.CH4O/c7-10(8,9)6-4-2-1-3-5-6;1-2-3-4-5-6-10(7,8)9;1-2/h1-5H;2-6H2,1H3;2H,1H3.
What are the key properties of methanol;trichloro(hexyl)silane;trichloro(phenyl)silane?
methanol;trichloro(hexyl)silane;trichloro(phenyl)silane has a molecular weight of 463.21 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;trichloro(hexyl)silane;trichloro(phenyl)silane is sourced from PubChem (CID 91668068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).