diethoxymethyl(tridecyl)silane

C18H40O2Si — CID 154372881

IUPACdiethoxymethyl(tridecyl)silane
SMILESCCCCCCCCCCCCC[SiH2]C(OCC)OCC
InChIInChI=1S/C18H40O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-18(19-5-2)20-6-3/h18H,4-17,21H2,1-3H3
InChIKeyNDOVAZYWSZMEGK-UHFFFAOYSA-N
MW316.60 g/mol
LogP5.24
Rot. Bonds17

About diethoxymethyl(tridecyl)silane

diethoxymethyl(tridecyl)silane (PubChem CID 154372881) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is diethoxymethyl(tridecyl)silane.

Molecular Properties

Compound Namediethoxymethyl(tridecyl)silane
PubChem CID154372881
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namediethoxymethyl(tridecyl)silane
SMILESCCCCCCCCCCCCC[SiH2]C(OCC)OCC
InChIInChI=1S/C18H40O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-18(19-5-2)20-6-3/h18H,4-17,21H2,1-3H3
InChIKeyNDOVAZYWSZMEGK-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 55.24
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'}

Analyze diethoxymethyl(tridecyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethoxymethyl(heptadecyl)silane
CID 154220252
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(tridecyl)silane?
The IUPAC name of diethoxymethyl(tridecyl)silane (CID 154372881) is diethoxymethyl(tridecyl)silane.
What is the SMILES notation for diethoxymethyl(tridecyl)silane?
The canonical SMILES for diethoxymethyl(tridecyl)silane is CCCCCCCCCCCCC[SiH2]C(OCC)OCC.
What is the InChIKey of diethoxymethyl(tridecyl)silane?
The InChIKey is NDOVAZYWSZMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-18(19-5-2)20-6-3/h18H,4-17,21H2,1-3H3.
What are the key properties of diethoxymethyl(tridecyl)silane?
diethoxymethyl(tridecyl)silane has a molecular weight of 316.60 g/mol, XLogP of 5.24, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(tridecyl)silane is sourced from PubChem (CID 154372881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).