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

C20H46O2Si2 — CID 123952140

IUPACoctan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
SMILESCCCCCC(CC)O[SiH2]CCCC[SiH2]OC(CC)CCCCC
InChIInChI=1S/C20H46O2Si2/c1-5-9-11-15-19(7-3)21-23-17-13-14-18-24-22-20(8-4)16-12-10-6-2/h19-20H,5-18,23-24H2,1-4H3
InChIKeyBSCOLBXIEYHXAK-UHFFFAOYSA-N
MW374.76 g/mol
LogP5.52
Rot. Bonds19

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

octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane (PubChem CID 123952140) has the molecular formula C20H46O2Si2 and a molecular weight of 374.76 g/mol. Its IUPAC name is octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane.

Molecular Properties

Compound Nameoctan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
PubChem CID123952140
Molecular FormulaC20H46O2Si2
Molecular Weight374.76 g/mol
Exact Mass374.30
IUPAC Nameoctan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
SMILESCCCCCC(CC)O[SiH2]CCCC[SiH2]OC(CC)CCCCC
InChIInChI=1S/C20H46O2Si2/c1-5-9-11-15-19(7-3)21-23-17-13-14-18-24-22-20(8-4)16-12-10-6-2/h19-20H,5-18,23-24H2,1-4H3
InChIKeyBSCOLBXIEYHXAK-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.76
LogP ≤ 55.52
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(3-octan-3-yloxysilylpropyl)silane
CID 123694171
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
heptan-4-yloxy(hexadecyl)silane
CID 123750148
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
di(tricosan-3-yloxy)silane
CID 173236024
heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
dichloromethoxy(hexyl)silane
CID 150153887

Frequently Asked Questions

What is the IUPAC name of octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane?
The IUPAC name of octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane (CID 123952140) is octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane.
What is the SMILES notation for octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane?
The canonical SMILES for octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane is CCCCCC(CC)O[SiH2]CCCC[SiH2]OC(CC)CCCCC.
What is the InChIKey of octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane?
The InChIKey is BSCOLBXIEYHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O2Si2/c1-5-9-11-15-19(7-3)21-23-17-13-14-18-24-22-20(8-4)16-12-10-6-2/h19-20H,5-18,23-24H2,1-4H3.
What are the key properties of octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane?
octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane has a molecular weight of 374.76 g/mol, XLogP of 5.52, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane is sourced from PubChem (CID 123952140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).