diethoxymethyl(heptadecyl)silane

C22H48O2Si — CID 154220252

IUPACdiethoxymethyl(heptadecyl)silane
SMILESCCCCCCCCCCCCCCCCC[SiH2]C(OCC)OCC
InChIInChI=1S/C22H48O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22(23-5-2)24-6-3/h22H,4-21,25H2,1-3H3
InChIKeyRSFZZFKBQKXJIV-UHFFFAOYSA-N
MW372.71 g/mol
LogP6.80
Rot. Bonds21

About diethoxymethyl(heptadecyl)silane

diethoxymethyl(heptadecyl)silane (PubChem CID 154220252) has the molecular formula C22H48O2Si and a molecular weight of 372.71 g/mol. Its IUPAC name is diethoxymethyl(heptadecyl)silane.

Molecular Properties

Compound Namediethoxymethyl(heptadecyl)silane
PubChem CID154220252
Molecular FormulaC22H48O2Si
Molecular Weight372.71 g/mol
Exact Mass372.34
IUPAC Namediethoxymethyl(heptadecyl)silane
SMILESCCCCCCCCCCCCCCCCC[SiH2]C(OCC)OCC
InChIInChI=1S/C22H48O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22(23-5-2)24-6-3/h22H,4-21,25H2,1-3H3
InChIKeyRSFZZFKBQKXJIV-UHFFFAOYSA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.71
LogP ≤ 56.80
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethoxymethyl(tridecyl)silane
CID 154372881
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
6-(diethoxymethylsilyl)hexyl-ethoxy-dimethylsilane
CID 123869015
3-(diethoxymethylsilyl)-N-[3-(diethoxymethylsilyl)propyl]-N-methylpropan-1-amine
CID 154169391
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
dipropoxymethyl-[3-(dipropoxymethylsilyl)propyl]silane
CID 123262117
3-(diethoxymethylsilyl)-N,N-bis(trimethylsilyl)propan-1-amine
CID 149152613
1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 154063195
dichloromethyl(dodecyl)silane
CID 154088389
dichloromethyl(tetradecyl)silane
CID 57351248
3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane
CID 3056900

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl(heptadecyl)silane?
The IUPAC name of diethoxymethyl(heptadecyl)silane (CID 154220252) is diethoxymethyl(heptadecyl)silane.
What is the SMILES notation for diethoxymethyl(heptadecyl)silane?
The canonical SMILES for diethoxymethyl(heptadecyl)silane is CCCCCCCCCCCCCCCCC[SiH2]C(OCC)OCC.
What is the InChIKey of diethoxymethyl(heptadecyl)silane?
The InChIKey is RSFZZFKBQKXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22(23-5-2)24-6-3/h22H,4-21,25H2,1-3H3.
What are the key properties of diethoxymethyl(heptadecyl)silane?
diethoxymethyl(heptadecyl)silane has a molecular weight of 372.71 g/mol, XLogP of 6.80, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(heptadecyl)silane is sourced from PubChem (CID 154220252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).