tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane

C16H28OSi — CID 12026901

IUPACtert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane
SMILESC#CCC1CCCC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C16H28OSi/c1-8-10-14-11-9-12-15(13(14)2)17-18(6,7)16(3,4)5/h1,14H,9-12H2,2-7H3
InChIKeyMUYRQPYBXKQVIJ-UHFFFAOYSA-N
MW264.48 g/mol
LogP5.11
Rot. Bonds3

About tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane

tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane (PubChem CID 12026901) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane
PubChem CID12026901
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nametert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane
SMILESC#CCC1CCCC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C16H28OSi/c1-8-10-14-11-9-12-15(13(14)2)17-18(6,7)16(3,4)5/h1,14H,9-12H2,2-7H3
InChIKeyMUYRQPYBXKQVIJ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.48
LogP ≤ 55.11
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

(2R)-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]cyclohexan-1-one
CID 124827096
tert-butyl-(3-ethenyl-2-methylcyclopenten-1-yl)oxy-dimethylsilane
CID 101362694
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane
CID 102070368
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
tert-butyl-dimethyl-(1-methyl-3-prop-2-ynylcyclopentyl)oxysilane
CID 88516741
methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate
CID 102051874
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
CID 10380829
tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane
CID 11652059
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
(1S)-1-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclohexylidene-1,3-dioxolan-4-yl]but-3-yn-1-ol
CID 102317650

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane (CID 12026901) is tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane is C#CCC1CCCC(O[Si](C)(C)C(C)(C)C)=C1C.
What is the InChIKey of tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane?
The InChIKey is MUYRQPYBXKQVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-8-10-14-11-9-12-15(13(14)2)17-18(6,7)16(3,4)5/h1,14H,9-12H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane?
tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane has a molecular weight of 264.48 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane is sourced from PubChem (CID 12026901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).