1-methyl-1-tridecan-2-yloxysilinane

C19H40OSi — CID 536205

IUPAC1-methyl-1-tridecan-2-yloxysilinane
SMILESCCCCCCCCCCCC(C)O[Si]1(C)CCCCC1
InChIInChI=1S/C19H40OSi/c1-4-5-6-7-8-9-10-11-13-16-19(2)20-21(3)17-14-12-15-18-21/h19H,4-18H2,1-3H3
InChIKeyHNNBATBXSZFPPJ-UHFFFAOYSA-N
MW312.61 g/mol
LogP7.07
Rot. Bonds12

About 1-methyl-1-tridecan-2-yloxysilinane

1-methyl-1-tridecan-2-yloxysilinane (PubChem CID 536205) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is 1-methyl-1-tridecan-2-yloxysilinane.

Molecular Properties

Compound Name1-methyl-1-tridecan-2-yloxysilinane
PubChem CID536205
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Name1-methyl-1-tridecan-2-yloxysilinane
SMILESCCCCCCCCCCCC(C)O[Si]1(C)CCCCC1
InChIInChI=1S/C19H40OSi/c1-4-5-6-7-8-9-10-11-13-16-19(2)20-21(3)17-14-12-15-18-21/h19H,4-18H2,1-3H3
InChIKeyHNNBATBXSZFPPJ-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 57.07
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

Stearoxytrimethylsilane
CID 87778
(Hexadecyloxy)trimethylsilane
CID 22588
Silane, trimethyl[(1-methylheptyl)oxy]-
CID 519505
Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
1-Docosanol, TMS
CID 529830
Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyldi(2-octyloxy)-
CID 85708223
1-Trimethylsilyloxytetradecane
CID 522031
1-Triethylsilyloxydecane
CID 523468

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-tridecan-2-yloxysilinane?
The IUPAC name of 1-methyl-1-tridecan-2-yloxysilinane (CID 536205) is 1-methyl-1-tridecan-2-yloxysilinane.
What is the SMILES notation for 1-methyl-1-tridecan-2-yloxysilinane?
The canonical SMILES for 1-methyl-1-tridecan-2-yloxysilinane is CCCCCCCCCCCC(C)O[Si]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-tridecan-2-yloxysilinane?
The InChIKey is HNNBATBXSZFPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40OSi/c1-4-5-6-7-8-9-10-11-13-16-19(2)20-21(3)17-14-12-15-18-21/h19H,4-18H2,1-3H3.
What are the key properties of 1-methyl-1-tridecan-2-yloxysilinane?
1-methyl-1-tridecan-2-yloxysilinane has a molecular weight of 312.61 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-tridecan-2-yloxysilinane is sourced from PubChem (CID 536205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).