hexane;bis(hexyl(trimethoxy)silane)

C24H58O6Si2 — CID 175053771

IUPAChexane;bis(hexyl(trimethoxy)silane)
SMILESCCCCCC.CCCCCC[Si](OC)(OC)OC.CCCCCC[Si](OC)(OC)OC
InChIInChI=1S/2C9H22O3Si.C6H14/c2*1-5-6-7-8-9-13(10-2,11-3)12-4;1-3-5-6-4-2/h2*5-9H2,1-4H3;3-6H2,1-2H3
InChIKeyASTROJDREKRLAZ-UHFFFAOYSA-N
MW498.89 g/mol
LogP7.48
Rot. Bonds19

About hexane;bis(hexyl(trimethoxy)silane)

hexane;bis(hexyl(trimethoxy)silane) (PubChem CID 175053771) has the molecular formula C24H58O6Si2 and a molecular weight of 498.89 g/mol. Its IUPAC name is hexane;bis(hexyl(trimethoxy)silane).

Molecular Properties

Compound Namehexane;bis(hexyl(trimethoxy)silane)
PubChem CID175053771
Molecular FormulaC24H58O6Si2
Molecular Weight498.89 g/mol
Exact Mass498.38
IUPAC Namehexane;bis(hexyl(trimethoxy)silane)
SMILESCCCCCC.CCCCCC[Si](OC)(OC)OC.CCCCCC[Si](OC)(OC)OC
InChIInChI=1S/2C9H22O3Si.C6H14/c2*1-5-6-7-8-9-13(10-2,11-3)12-4;1-3-5-6-4-2/h2*5-9H2,1-4H3;3-6H2,1-2H3
InChIKeyASTROJDREKRLAZ-UHFFFAOYSA-N
XLogP7.48
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.89
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
azane;trimethoxy(pentyl)silane
CID 19608931
decyl(trimethoxy)silane;trimethoxysilane
CID 158226172
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
ethoxysilane;hexadecyl(trimethoxy)silane
CID 162057078
dodecyl-diethoxy-methoxysilane
CID 141483107

Frequently Asked Questions

What is the IUPAC name of hexane;bis(hexyl(trimethoxy)silane)?
The IUPAC name of hexane;bis(hexyl(trimethoxy)silane) (CID 175053771) is hexane;bis(hexyl(trimethoxy)silane).
What is the SMILES notation for hexane;bis(hexyl(trimethoxy)silane)?
The canonical SMILES for hexane;bis(hexyl(trimethoxy)silane) is CCCCCC.CCCCCC[Si](OC)(OC)OC.CCCCCC[Si](OC)(OC)OC.
What is the InChIKey of hexane;bis(hexyl(trimethoxy)silane)?
The InChIKey is ASTROJDREKRLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H22O3Si.C6H14/c2*1-5-6-7-8-9-13(10-2,11-3)12-4;1-3-5-6-4-2/h2*5-9H2,1-4H3;3-6H2,1-2H3.
What are the key properties of hexane;bis(hexyl(trimethoxy)silane)?
hexane;bis(hexyl(trimethoxy)silane) has a molecular weight of 498.89 g/mol, XLogP of 7.48, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;bis(hexyl(trimethoxy)silane) is sourced from PubChem (CID 175053771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).