tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane

C19H34OSi — CID 14635022

IUPACtert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C19H34OSi/c1-10-12-16(20-21(8,9)18(3,4)5)17-15(2)13-11-14-19(17,6)7/h1,16H,11-14H2,2-9H3
InChIKeyMUZSGDDMEIEXNW-UHFFFAOYSA-N
MW306.57 g/mol
LogP5.93
Rot. Bonds4

About tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane

tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane (PubChem CID 14635022) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane
PubChem CID14635022
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C19H34OSi/c1-10-12-16(20-21(8,9)18(3,4)5)17-15(2)13-11-14-19(17,6)7/h1,16H,11-14H2,2-9H3
InChIKeyMUZSGDDMEIEXNW-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.93
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

3-[(6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-6-(5-methylhex-3-ynyl)cyclohexen-1-yl]prop-2-yn-1-ol
CID 134865610
triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
CID 134945474
triethyl-[(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
CID 134945475
tert-butyl-dimethyl-[(2R,3S)-2-[(1S)-3-methyl-2-prop-2-ynylcyclopent-2-en-1-yl]hexa-4,5-dien-3-yl]oxysilane
CID 178270100
tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane
CID 25232106
(4-Ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane
CID 19751863
[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
CID 54022486
tert-butyl-[(1S,5R)-3-ethynyl-2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane
CID 89472488
tert-butyl-[(1S,5R)-3-ethynyl-2,5,6-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 158485690
Tert-butyl-[3-(15-methoxy-15-methylhexadecyl)-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 162724307
[3-(15-Methoxy-15-methylhexadecyl)-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 174058627
tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 10660274

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane (CID 14635022) is tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane is C#CCC(O[Si](C)(C)C(C)(C)C)C1=C(C)CCCC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane?
The InChIKey is MUZSGDDMEIEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-10-12-16(20-21(8,9)18(3,4)5)17-15(2)13-11-14-19(17,6)7/h1,16H,11-14H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane?
tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane has a molecular weight of 306.57 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane is sourced from PubChem (CID 14635022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).