hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane

C24H36O2Si — CID 91740866

IUPAChexan-3-yloxy-(4-methylpentoxy)-diphenylsilane
SMILESCCCC(CC)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36O2Si/c1-5-14-22(6-2)26-27(23-16-9-7-10-17-23,24-18-11-8-12-19-24)25-20-13-15-21(3)4/h7-12,16-19,21-22H,5-6,13-15,20H2,1-4H3
InChIKeyUJJSWLSPVLSFQW-UHFFFAOYSA-N
MW384.64 g/mol
LogP5.29
Rot. Bonds12

About hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane

hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane (PubChem CID 91740866) has the molecular formula C24H36O2Si and a molecular weight of 384.64 g/mol. Its IUPAC name is hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Namehexan-3-yloxy-(4-methylpentoxy)-diphenylsilane
PubChem CID91740866
Molecular FormulaC24H36O2Si
Molecular Weight384.64 g/mol
Exact Mass384.25
IUPAC Namehexan-3-yloxy-(4-methylpentoxy)-diphenylsilane
SMILESCCCC(CC)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36O2Si/c1-5-14-22(6-2)26-27(23-16-9-7-10-17-23,24-18-11-8-12-19-24)25-20-13-15-21(3)4/h7-12,16-19,21-22H,5-6,13-15,20H2,1-4H3
InChIKeyUJJSWLSPVLSFQW-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.64
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Diphenyldiethoxysilane
CID 75705
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Diphenyl-dipropoxy-silane
CID 14324871
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane
CID 176438012
Dibutoxy(diphenyl)silane
CID 13637536
t-Butyl-(3-methylbut-3-enyloxy)diphenylsilane
CID 605219
(E,3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylhept-5-enal
CID 10547833

Frequently Asked Questions

What is the IUPAC name of hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane (CID 91740866) is hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane is CCCC(CC)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
The InChIKey is UJJSWLSPVLSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-5-14-22(6-2)26-27(23-16-9-7-10-17-23,24-18-11-8-12-19-24)25-20-13-15-21(3)4/h7-12,16-19,21-22H,5-6,13-15,20H2,1-4H3.
What are the key properties of hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane has a molecular weight of 384.64 g/mol, XLogP of 5.29, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yloxy-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91740866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).