nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane

C22H50O2Si2 — CID 123259328

IUPACnonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
SMILESCCCCC(CCCC)O[SiH2]CCCC[SiH2]OC(CCCC)CCCC
InChIInChI=1S/C22H50O2Si2/c1-5-9-15-21(16-10-6-2)23-25-19-13-14-20-26-24-22(17-11-7-3)18-12-8-4/h21-22H,5-20,25-26H2,1-4H3
InChIKeySHWQEMIEJVFMRY-UHFFFAOYSA-N
MW402.81 g/mol
LogP6.30
Rot. Bonds21

About nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane

nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane (PubChem CID 123259328) has the molecular formula C22H50O2Si2 and a molecular weight of 402.81 g/mol. Its IUPAC name is nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane.

Molecular Properties

Compound Namenonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
PubChem CID123259328
Molecular FormulaC22H50O2Si2
Molecular Weight402.81 g/mol
Exact Mass402.33
IUPAC Namenonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
SMILESCCCCC(CCCC)O[SiH2]CCCC[SiH2]OC(CCCC)CCCC
InChIInChI=1S/C22H50O2Si2/c1-5-9-15-21(16-10-6-2)23-25-19-13-14-20-26-24-22(17-11-7-3)18-12-8-4/h21-22H,5-20,25-26H2,1-4H3
InChIKeySHWQEMIEJVFMRY-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.81
LogP ≤ 56.30
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

heptan-4-yloxy(hexadecyl)silane
CID 123750148
heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
CID 123952140
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
dichloromethoxy(hexyl)silane
CID 150153887
heptan-4-yloxy(2-methylpropyl)silane
CID 123412340
1-chloro-2-(1-chlorohexan-2-yloxy)hexane
CID 22186469
4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate
CID 123903731

Frequently Asked Questions

What is the IUPAC name of nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane?
The IUPAC name of nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane (CID 123259328) is nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane.
What is the SMILES notation for nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane?
The canonical SMILES for nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane is CCCCC(CCCC)O[SiH2]CCCC[SiH2]OC(CCCC)CCCC.
What is the InChIKey of nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane?
The InChIKey is SHWQEMIEJVFMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O2Si2/c1-5-9-15-21(16-10-6-2)23-25-19-13-14-20-26-24-22(17-11-7-3)18-12-8-4/h21-22H,5-20,25-26H2,1-4H3.
What are the key properties of nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane?
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane has a molecular weight of 402.81 g/mol, XLogP of 6.30, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane is sourced from PubChem (CID 123259328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).