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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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).