tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane

C21H42OSi2 — CID 11360601

IUPACtert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane
SMILESC/C(=C\CCCCC#C[Si](C)(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42OSi2/c1-20(16-13-11-10-12-14-19-23(5,6)7)17-15-18-22-24(8,9)21(2,3)4/h16H,10-13,15,17-18H2,1-9H3/b20-16+
InChIKeyZPBLPHBVTHPFOH-CAPFRKAQSA-N
MW366.74 g/mol
LogP7.18
Rot. Bonds9

About tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane

tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane (PubChem CID 11360601) has the molecular formula C21H42OSi2 and a molecular weight of 366.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane
PubChem CID11360601
Molecular FormulaC21H42OSi2
Molecular Weight366.74 g/mol
Exact Mass366.28
IUPAC Nametert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane
SMILESC/C(=C\CCCCC#C[Si](C)(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42OSi2/c1-20(16-13-11-10-12-14-19-23(5,6)7)17-15-18-22-24(8,9)21(2,3)4/h16H,10-13,15,17-18H2,1-9H3/b20-16+
InChIKeyZPBLPHBVTHPFOH-CAPFRKAQSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.74
LogP ≤ 57.18
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(E)-6-trimethylsilylundec-4-enoxy]silane
CID 11382734
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
(e)-t-Butyl(dimethyl)(tetradec-3-ene-8,11-diyn-1-yloxy)silane
CID 132280318
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866067
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
tert-butyl-[(E)-dodec-10-en-5-ynoxy]-dimethylsilane
CID 134887219

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane (CID 11360601) is tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane is C/C(=C\CCCCC#C[Si](C)(C)C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane?
The InChIKey is ZPBLPHBVTHPFOH-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H42OSi2/c1-20(16-13-11-10-12-14-19-23(5,6)7)17-15-18-22-24(8,9)21(2,3)4/h16H,10-13,15,17-18H2,1-9H3/b20-16+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane?
tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane has a molecular weight of 366.74 g/mol, XLogP of 7.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane is sourced from PubChem (CID 11360601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).