Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane

C23H45O4Si — CID 78062562

IUPAC—
SMILESC[Si](CCCCCCOC1CCCCO1)CCCCCCOC1CCCCO1
InChIInChI=1S/C23H45O4Si/c1-28(20-12-4-2-8-16-24-22-14-6-10-18-26-22)21-13-5-3-9-17-25-23-15-7-11-19-27-23/h22-23H,2-21H2,1H3
InChIKeyXAJLJTIWEQLZRT-UHFFFAOYSA-N
MW413.70 g/mol
LogP6.32
Rot. Bonds16

About Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane

Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane (PubChem CID 78062562) has the molecular formula C23H45O4Si and a molecular weight of 413.70 g/mol.

Molecular Properties

Compound NameMethylbis{6-[(oxan-2-yl)oxy]hexyl}silane
PubChem CID78062562
Molecular FormulaC23H45O4Si
Molecular Weight413.70 g/mol
Exact Mass413.31
IUPAC Name—
SMILESC[Si](CCCCCCOC1CCCCO1)CCCCCCOC1CCCCO1
InChIInChI=1S/C23H45O4Si/c1-28(20-12-4-2-8-16-24-22-14-6-10-18-26-22)21-13-5-3-9-17-25-23-15-7-11-19-27-23/h22-23H,2-21H2,1H3
InChIKeyXAJLJTIWEQLZRT-UHFFFAOYSA-N
XLogP6.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.70
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-(6-methylheptoxy)oxane
CID 139685112
2-(12-chlorododecoxy)oxane
CID 14014573
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(18-iodooctadecoxy)oxane
CID 86124950
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-(4,4-dimethylpentoxy)oxane
CID 59628221

Frequently Asked Questions

What is the IUPAC name of Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane?
The IUPAC name of Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane (CID 78062562) is not available.
What is the SMILES notation for Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane?
The canonical SMILES for Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane is C[Si](CCCCCCOC1CCCCO1)CCCCCCOC1CCCCO1.
What is the InChIKey of Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane?
The InChIKey is XAJLJTIWEQLZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45O4Si/c1-28(20-12-4-2-8-16-24-22-14-6-10-18-26-22)21-13-5-3-9-17-25-23-15-7-11-19-27-23/h22-23H,2-21H2,1H3.
What are the key properties of Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane?
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane has a molecular weight of 413.70 g/mol, XLogP of 6.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane is sourced from PubChem (CID 78062562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).