tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane

C22H44OSi — CID 11451025

IUPACtert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane
SMILESCC(C)CCCC#CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-21(2)19-17-15-13-11-9-8-10-12-14-16-18-20-23-24(6,7)22(3,4)5/h21H,8-10,12,14-20H2,1-7H3
InChIKeyNEEPDCFUSFDMQT-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.57
Rot. Bonds12

About tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane

tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane (PubChem CID 11451025) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane
PubChem CID11451025
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Nametert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane
SMILESCC(C)CCCC#CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-21(2)19-17-15-13-11-9-8-10-12-14-16-18-20-23-24(6,7)22(3,4)5/h21H,8-10,12,14-20H2,1-7H3
InChIKeyNEEPDCFUSFDMQT-UHFFFAOYSA-N
XLogP7.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.57
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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Related Compounds

tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, dimethyl(dodec-9-ynyloxy)ethoxy-
CID 91703734
Silane, dimethyl(dodec-9-ynyloxy)octyloxy-
CID 91736008
Silane, dimethyl(dodec-9-ynyloxy)decyloxy-
CID 91736066

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane (CID 11451025) is tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane is CC(C)CCCC#CCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane?
The InChIKey is NEEPDCFUSFDMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-21(2)19-17-15-13-11-9-8-10-12-14-16-18-20-23-24(6,7)22(3,4)5/h21H,8-10,12,14-20H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane?
tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane has a molecular weight of 352.68 g/mol, XLogP of 7.57, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(14-methylpentadec-9-ynoxy)silane is sourced from PubChem (CID 11451025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).