tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane

C17H32OSi — CID 101155877

IUPACtert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane
SMILESC=CC(C)(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H32OSi/c1-9-17(5,6)14-11-10-12-15(13-14)18-19(7,8)16(2,3)4/h9,13-14H,1,10-12H2,2-8H3
InChIKeyRYZBJBNHCWEMCT-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.90
Rot. Bonds4

About tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane

tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane (PubChem CID 101155877) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane
PubChem CID101155877
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane
SMILESC=CC(C)(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H32OSi/c1-9-17(5,6)14-11-10-12-15(13-14)18-19(7,8)16(2,3)4/h9,13-14H,1,10-12H2,2-8H3
InChIKeyRYZBJBNHCWEMCT-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.90
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane (CID 101155877) is tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane is C=CC(C)(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane?
The InChIKey is RYZBJBNHCWEMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-9-17(5,6)14-11-10-12-15(13-14)18-19(7,8)16(2,3)4/h9,13-14H,1,10-12H2,2-8H3.
What are the key properties of tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane?
tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane has a molecular weight of 280.53 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 101155877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).