[3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane

C18H34OSi2 — CID 46848193

IUPAC[3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCC1CCC(O[Si](C)(C)C)=CC1(C)CCC#C[Si](C)(C)C
InChIInChI=1S/C18H34OSi2/c1-16-11-12-17(19-21(6,7)8)15-18(16,2)13-9-10-14-20(3,4)5/h15-16H,9,11-13H2,1-8H3
InChIKeyXIIOPURQIBZYSR-UHFFFAOYSA-N
MW322.64 g/mol
LogP5.82
Rot. Bonds4

About [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane

[3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 46848193) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID46848193
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Name[3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCC1CCC(O[Si](C)(C)C)=CC1(C)CCC#C[Si](C)(C)C
InChIInChI=1S/C18H34OSi2/c1-16-11-12-17(19-21(6,7)8)15-18(16,2)13-9-10-14-20(3,4)5/h15-16H,9,11-13H2,1-8H3
InChIKeyXIIOPURQIBZYSR-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Trimethyl-[3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635032
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
[(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 10106174
trimethyl-[(3R,4R)-3-methyl-3-[2-[(1S)-1-methylcyclohex-2-en-1-yl]ethyl]-4-propan-2-ylcyclopenten-1-yl]oxysilane
CID 11984323
Tert-butyl-(3-but-3-yn-2-ylcyclohexen-1-yl)oxy-dimethylsilane
CID 12079486
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
CID 99772921
((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066
((5-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 132274639
[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyl-3-triethylsilyloxyoct-6-en-1-ynyl]-trimethylsilane
CID 134887221

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane (CID 46848193) is [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane is CC1CCC(O[Si](C)(C)C)=CC1(C)CCC#C[Si](C)(C)C.
What is the InChIKey of [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is XIIOPURQIBZYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-16-11-12-17(19-21(6,7)8)15-18(16,2)13-9-10-14-20(3,4)5/h15-16H,9,11-13H2,1-8H3.
What are the key properties of [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane?
[3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 322.64 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 46848193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).