tert-butyl-diethoxy-tetradecylsilane

C22H48O2Si — CID 18990603

IUPACtert-butyl-diethoxy-tetradecylsilane
SMILESCCCCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/C22H48O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-25(23-8-2,24-9-3)22(4,5)6/h7-21H2,1-6H3
InChIKeyQKAYLTFCEVFJTE-UHFFFAOYSA-N
MW372.71 g/mol
LogP8.00
Rot. Bonds17

About tert-butyl-diethoxy-tetradecylsilane

tert-butyl-diethoxy-tetradecylsilane (PubChem CID 18990603) has the molecular formula C22H48O2Si and a molecular weight of 372.71 g/mol. Its IUPAC name is tert-butyl-diethoxy-tetradecylsilane.

Molecular Properties

Compound Nametert-butyl-diethoxy-tetradecylsilane
PubChem CID18990603
Molecular FormulaC22H48O2Si
Molecular Weight372.71 g/mol
Exact Mass372.34
IUPAC Nametert-butyl-diethoxy-tetradecylsilane
SMILESCCCCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/C22H48O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-25(23-8-2,24-9-3)22(4,5)6/h7-21H2,1-6H3
InChIKeyQKAYLTFCEVFJTE-UHFFFAOYSA-N
XLogP8.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.71
LogP ≤ 58.00
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diethoxy-tetradecylsilane?
The IUPAC name of tert-butyl-diethoxy-tetradecylsilane (CID 18990603) is tert-butyl-diethoxy-tetradecylsilane.
What is the SMILES notation for tert-butyl-diethoxy-tetradecylsilane?
The canonical SMILES for tert-butyl-diethoxy-tetradecylsilane is CCCCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-diethoxy-tetradecylsilane?
The InChIKey is QKAYLTFCEVFJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O2Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-25(23-8-2,24-9-3)22(4,5)6/h7-21H2,1-6H3.
What are the key properties of tert-butyl-diethoxy-tetradecylsilane?
tert-butyl-diethoxy-tetradecylsilane has a molecular weight of 372.71 g/mol, XLogP of 8.00, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diethoxy-tetradecylsilane is sourced from PubChem (CID 18990603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).