tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane

C19H36OSi — CID 24862243

IUPACtert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
SMILESC=CCC(C)(C)C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H36OSi/c1-10-12-18(6,7)13-11-16(2)19(14-15-19)20-21(8,9)17(3,4)5/h10-11H,1,12-15H2,2-9H3/b16-11-
InChIKeyCJSXJCIERALERU-WJDWOHSUSA-N
MW308.58 g/mol
LogP6.48
Rot. Bonds7

About tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane (PubChem CID 24862243) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
PubChem CID24862243
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
SMILESC=CCC(C)(C)C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H36OSi/c1-10-12-18(6,7)13-11-16(2)19(14-15-19)20-21(8,9)17(3,4)5/h10-11H,1,12-15H2,2-9H3/b16-11-
InChIKeyCJSXJCIERALERU-WJDWOHSUSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.48
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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Related Compounds

tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 53472948
tert-butyl-[1-[(2E)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
CID 134844444
tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane
CID 134963682
tert-butyl-dimethyl-[1-[(2Z)-octa-2,7-dien-2-yl]cyclopropyl]oxysilane
CID 135073519
[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane
CID 15441003
{[1-(But-2-en-2-yl)cyclopropyl]oxy}(trimethyl)silane
CID 71328087

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane (CID 24862243) is tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane is C=CCC(C)(C)C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is CJSXJCIERALERU-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H36OSi/c1-10-12-18(6,7)13-11-16(2)19(14-15-19)20-21(8,9)17(3,4)5/h10-11H,1,12-15H2,2-9H3/b16-11-.
What are the key properties of tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 24862243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).