tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane

C20H40OSi2 — CID 138967662

IUPACtert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
SMILESCCCCC[C@H](/C=C/CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi2/c1-10-11-13-16-19(21-23(8,9)20(2,3)4)17-14-12-15-18-22(5,6)7/h14,17,19H,10-13,16H2,1-9H3/b17-14+/t19-/m1/s1
InChIKeyJTWONACMSVOLFW-DQSGYLJSSA-N
MW352.71 g/mol
LogP6.78
Rot. Bonds8

About tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane

tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane (PubChem CID 138967662) has the molecular formula C20H40OSi2 and a molecular weight of 352.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
PubChem CID138967662
Molecular FormulaC20H40OSi2
Molecular Weight352.71 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
SMILESCCCCC[C@H](/C=C/CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi2/c1-10-11-13-16-19(21-23(8,9)20(2,3)4)17-14-12-15-18-22(5,6)7/h14,17,19H,10-13,16H2,1-9H3/b17-14+/t19-/m1/s1
InChIKeyJTWONACMSVOLFW-DQSGYLJSSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.71
LogP ≤ 56.78
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'}

Analyze tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 24777979
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-dimethyl-[(Z)-octadec-9-en-6-yl]oxysilane
CID 134866255
tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane
CID 134884613
[(2E,11E)-7,16-dimethylidene-10-triethylsilyloxycyclooctadeca-2,11-dien-1-yl]oxy-triethylsilane
CID 134930766
tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
CID 134960246
1-(Cyclohexen-1-yl)but-3-ynoxy-triethylsilane
CID 135023459
[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
CID 135068814
tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane
CID 138967347

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane (CID 138967662) is tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane is CCCCC[C@H](/C=C/CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane?
The InChIKey is JTWONACMSVOLFW-DQSGYLJSSA-N. The full InChI is InChI=1S/C20H40OSi2/c1-10-11-13-16-19(21-23(8,9)20(2,3)4)17-14-12-15-18-22(5,6)7/h14,17,19H,10-13,16H2,1-9H3/b17-14+/t19-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane?
tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane has a molecular weight of 352.71 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane is sourced from PubChem (CID 138967662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).