tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane

C18H34OSi — CID 53472948

IUPACtert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=CCC(C)(C)[C@@H](/C=C/C1CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-9-14-18(5,6)16(13-12-15-10-11-15)19-20(7,8)17(2,3)4/h9,12-13,15-16H,1,10-11,14H2,2-8H3/b13-12+/t16-/m1/s1
InChIKeyCQBXUNKIZASRGP-CJTWTEFWSA-N
MW294.56 g/mol
LogP5.95
Rot. Bonds7

About tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane (PubChem CID 53472948) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane
PubChem CID53472948
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=CCC(C)(C)[C@@H](/C=C/C1CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-9-14-18(5,6)16(13-12-15-10-11-15)19-20(7,8)17(2,3)4/h9,12-13,15-16H,1,10-11,14H2,2-8H3/b13-12+/t16-/m1/s1
InChIKeyCQBXUNKIZASRGP-CJTWTEFWSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.95
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'}

Analyze tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane with MolForge

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Related Compounds

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CID 5353180
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CID 11255807
tert-butyl-dimethyl-[(E)-3-(1-propan-2-ylcyclopropyl)prop-2-enoxy]silane
CID 11425340
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-(5-methylcyclopent-2-en-1-yl)oxysilane
CID 134878754
tert-butyl-dimethyl-[(E)-2-methyldec-4-en-3-yl]oxysilane
CID 134979392
tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane
CID 135056068
tert-butyl-dimethyl-[(E)-2-methylnon-4-en-3-yl]oxysilane
CID 135072169
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane
CID 135079747
tert-butyl[((1S,2S)-2-{[tert-butyl(dimethyl)silyl]oxy}cyclopent-3-en-1-yl)methoxy]dimethylsilane
CID 59671393
tert-butyl-[[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]methoxy]-dimethylsilane
CID 71270632

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane (CID 53472948) is tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane is C=CCC(C)(C)[C@@H](/C=C/C1CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The InChIKey is CQBXUNKIZASRGP-CJTWTEFWSA-N. The full InChI is InChI=1S/C18H34OSi/c1-9-14-18(5,6)16(13-12-15-10-11-15)19-20(7,8)17(2,3)4/h9,12-13,15-16H,1,10-11,14H2,2-8H3/b13-12+/t16-/m1/s1.
What are the key properties of tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 53472948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).