tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane

C17H34OSi2 — CID 11809086

IUPACtert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane
SMILESC=C(CCC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi2/c1-16(12-10-11-15-19(5,6)7)13-14-18-20(8,9)17(2,3)4/h1,10,12-14H2,2-9H3
InChIKeyHPNKQEZRLTYBEB-UHFFFAOYSA-N
MW310.63 g/mol
LogP5.62
Rot. Bonds6

About tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane

tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane (PubChem CID 11809086) has the molecular formula C17H34OSi2 and a molecular weight of 310.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane
PubChem CID11809086
Molecular FormulaC17H34OSi2
Molecular Weight310.63 g/mol
Exact Mass310.21
IUPAC Nametert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane
SMILESC=C(CCC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi2/c1-16(12-10-11-15-19(5,6)7)13-14-18-20(8,9)17(2,3)4/h1,10,12-14H2,2-9H3
InChIKeyHPNKQEZRLTYBEB-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.63
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,1-dimethylsilol-3-yl]ethoxy]-dimethylsilane
CID 135063233
Tert-butyl-dimethyl-(6-triethylsilylhept-6-enoxy)silane
CID 154721528
tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-1-enoxy]-dimethylsilane
CID 155930703
tert-butyl-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-1-enoxy]-dimethylsilane
CID 155930752
tert-butyl-dimethyl-[(5E)-5-(trimethylsilylmethylidene)heptoxy]silane
CID 9995804
5-Methylidene-7-tri(propan-2-yl)silylhept-6-yn-1-ol
CID 102322022
Tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane
CID 11047110
Aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane
CID 11141987
5-Methylhex-5-enoxy-tri(propan-2-yl)silane
CID 11141988
tert-butyl-dimethyl-[(E)-4-methyl-11-trimethylsilylundec-4-en-10-ynoxy]silane
CID 11360601
tert-Butyl(dimethyl){[1-(trimethylsilyl)oct-7-en-1-yn-3-yl]oxy}silane
CID 15006096
Aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane
CID 15973618

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane (CID 11809086) is tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane is C=C(CCC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane?
The InChIKey is HPNKQEZRLTYBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi2/c1-16(12-10-11-15-19(5,6)7)13-14-18-20(8,9)17(2,3)4/h1,10,12-14H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane?
tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane has a molecular weight of 310.63 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-methylidene-7-trimethylsilylhept-6-ynoxy)silane is sourced from PubChem (CID 11809086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).