tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane

C18H34OSi — CID 134963682

IUPACtert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane
SMILESC=CC(C)(C)C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34OSi/c1-10-17(6,7)12-11-15(2)18(13-14-18)19-20(8,9)16(3,4)5/h10-11H,1,12-14H2,2-9H3/b15-11-
InChIKeyNOQNAEQATBWVJY-PTNGSMBKSA-N
MW294.56 g/mol
LogP6.09
Rot. Bonds6

About tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane (PubChem CID 134963682) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane
PubChem CID134963682
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane
SMILESC=CC(C)(C)C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34OSi/c1-10-17(6,7)12-11-15(2)18(13-14-18)19-20(8,9)16(3,4)5/h10-11H,1,12-14H2,2-9H3/b15-11-
InChIKeyNOQNAEQATBWVJY-PTNGSMBKSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 56.09
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-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
CID 24862243
tert-butyl-[1-[(2E)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
CID 134844444
tert-butyl-dimethyl-[1-[(2Z)-octa-2,7-dien-2-yl]cyclopropyl]oxysilane
CID 135073519
t-Butyl(1,5-dimethyl-1-vinylhex-4-enyloxy)dimethylsilane
CID 554425
[(3,7-Dimethylocta-1,6-dien-3-yl)oxy](triethyl)silane
CID 13159085
[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane
CID 15441003
[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-triethylsilane
CID 25213580
{[1-(But-2-en-2-yl)cyclopropyl]oxy}(trimethyl)silane
CID 71328087
trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane
CID 101417967
tert-butyl-[(E,3S)-2,2-dimethylnon-4-en-3-yl]oxy-dimethylsilane
CID 101658852

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane (CID 134963682) is tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane is C=CC(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-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is NOQNAEQATBWVJY-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H34OSi/c1-10-17(6,7)12-11-15(2)18(13-14-18)19-20(8,9)16(3,4)5/h10-11H,1,12-14H2,2-9H3/b15-11-.
What are the key properties of tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 6.09, 6 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-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 134963682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).