heptan-4-yloxy(hexadecyl)silane

C23H50OSi — CID 123750148

IUPACheptan-4-yloxy(hexadecyl)silane
SMILESCCCCCCCCCCCCCCCC[SiH2]OC(CCC)CCC
InChIInChI=1S/C23H50OSi/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24-23(20-5-2)21-6-3/h23H,4-22,25H2,1-3H3
InChIKeyALQDYKHOGXXQRN-UHFFFAOYSA-N
MW370.74 g/mol
LogP7.96
Rot. Bonds21

About heptan-4-yloxy(hexadecyl)silane

heptan-4-yloxy(hexadecyl)silane (PubChem CID 123750148) has the molecular formula C23H50OSi and a molecular weight of 370.74 g/mol. Its IUPAC name is heptan-4-yloxy(hexadecyl)silane.

Molecular Properties

Compound Nameheptan-4-yloxy(hexadecyl)silane
PubChem CID123750148
Molecular FormulaC23H50OSi
Molecular Weight370.74 g/mol
Exact Mass370.36
IUPAC Nameheptan-4-yloxy(hexadecyl)silane
SMILESCCCCCCCCCCCCCCCC[SiH2]OC(CCC)CCC
InChIInChI=1S/C23H50OSi/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24-23(20-5-2)21-6-3/h23H,4-22,25H2,1-3H3
InChIKeyALQDYKHOGXXQRN-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.74
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
CID 123952140
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
dichloromethoxy(hexyl)silane
CID 150153887
octyl(octylsilyloxy)silane
CID 151438773
heptan-4-yloxy(2-methylpropyl)silane
CID 123412340
1,2-dimethoxyethoxy(undecyl)silane
CID 174052564

Frequently Asked Questions

What is the IUPAC name of heptan-4-yloxy(hexadecyl)silane?
The IUPAC name of heptan-4-yloxy(hexadecyl)silane (CID 123750148) is heptan-4-yloxy(hexadecyl)silane.
What is the SMILES notation for heptan-4-yloxy(hexadecyl)silane?
The canonical SMILES for heptan-4-yloxy(hexadecyl)silane is CCCCCCCCCCCCCCCC[SiH2]OC(CCC)CCC.
What is the InChIKey of heptan-4-yloxy(hexadecyl)silane?
The InChIKey is ALQDYKHOGXXQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50OSi/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24-23(20-5-2)21-6-3/h23H,4-22,25H2,1-3H3.
What are the key properties of heptan-4-yloxy(hexadecyl)silane?
heptan-4-yloxy(hexadecyl)silane has a molecular weight of 370.74 g/mol, XLogP of 7.96, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-yloxy(hexadecyl)silane is sourced from PubChem (CID 123750148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).