tert-butyl-dimethyl-undec-10-ynoxysilane

C17H34OSi — CID 554415

IUPACtert-butyl-dimethyl-undec-10-ynoxysilane
SMILESC#CCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h1H,8-16H2,2-6H3
InChIKeyIAWRSLUQFDNMOB-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.76
Rot. Bonds10

About tert-butyl-dimethyl-undec-10-ynoxysilane

tert-butyl-dimethyl-undec-10-ynoxysilane (PubChem CID 554415) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-undec-10-ynoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-undec-10-ynoxysilane
PubChem CID554415
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-dimethyl-undec-10-ynoxysilane
SMILESC#CCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h1H,8-16H2,2-6H3
InChIKeyIAWRSLUQFDNMOB-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.76
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-undec-10-ynoxysilane?
The IUPAC name of tert-butyl-dimethyl-undec-10-ynoxysilane (CID 554415) is tert-butyl-dimethyl-undec-10-ynoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-undec-10-ynoxysilane?
The canonical SMILES for tert-butyl-dimethyl-undec-10-ynoxysilane is C#CCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-undec-10-ynoxysilane?
The InChIKey is IAWRSLUQFDNMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-7-8-9-10-11-12-13-14-15-16-18-19(5,6)17(2,3)4/h1H,8-16H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-undec-10-ynoxysilane?
tert-butyl-dimethyl-undec-10-ynoxysilane has a molecular weight of 282.54 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-undec-10-ynoxysilane is sourced from PubChem (CID 554415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).