hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane

C16H38O2Si2 — CID 123700274

IUPAChexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
SMILESCCCC(CC)O[SiH2]CCCC[SiH2]OC(CC)CCC
InChIInChI=1S/C16H38O2Si2/c1-5-11-15(7-3)17-19-13-9-10-14-20-18-16(8-4)12-6-2/h15-16H,5-14,19-20H2,1-4H3
InChIKeyOSEXGNHORVTPME-UHFFFAOYSA-N
MW318.65 g/mol
LogP3.96
Rot. Bonds15

About hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane

hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane (PubChem CID 123700274) has the molecular formula C16H38O2Si2 and a molecular weight of 318.65 g/mol. Its IUPAC name is hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane.

Molecular Properties

Compound Namehexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
PubChem CID123700274
Molecular FormulaC16H38O2Si2
Molecular Weight318.65 g/mol
Exact Mass318.24
IUPAC Namehexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
SMILESCCCC(CC)O[SiH2]CCCC[SiH2]OC(CC)CCC
InChIInChI=1S/C16H38O2Si2/c1-5-11-15(7-3)17-19-13-9-10-14-20-18-16(8-4)12-6-2/h15-16H,5-14,19-20H2,1-4H3
InChIKeyOSEXGNHORVTPME-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 53.96
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

octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
CID 123952140
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171
heptan-4-yloxy(hexadecyl)silane
CID 123750148
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
trihexan-3-yl phosphite
CID 88792462
heptan-4-yloxy(2-methylpropyl)silane
CID 123412340
di(tricosan-3-yloxy)silane
CID 173236024
dichloromethoxy(hexyl)silane
CID 150153887

Frequently Asked Questions

What is the IUPAC name of hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane?
The IUPAC name of hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane (CID 123700274) is hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane.
What is the SMILES notation for hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane?
The canonical SMILES for hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane is CCCC(CC)O[SiH2]CCCC[SiH2]OC(CC)CCC.
What is the InChIKey of hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane?
The InChIKey is OSEXGNHORVTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O2Si2/c1-5-11-15(7-3)17-19-13-9-10-14-20-18-16(8-4)12-6-2/h15-16H,5-14,19-20H2,1-4H3.
What are the key properties of hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane?
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane has a molecular weight of 318.65 g/mol, XLogP of 3.96, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane is sourced from PubChem (CID 123700274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).