tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane

C17H34OSi — CID 150670949

IUPACtert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC=C(C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)C1CC1
InChIInChI=1S/C17H34OSi/c1-13(14-10-11-14)12-15(16(2,3)4)18-19(8,9)17(5,6)7/h14-15H,1,10-12H2,2-9H3/t15-/m0/s1
InChIKeyJFWBZTTZWDZTBJ-HNNXBMFYSA-N
MW282.54 g/mol
LogP5.78
Rot. Bonds5

About tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 150670949) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID150670949
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC=C(C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)C1CC1
InChIInChI=1S/C17H34OSi/c1-13(14-10-11-14)12-15(16(2,3)4)18-19(8,9)17(5,6)7/h14-15H,1,10-12H2,2-9H3/t15-/m0/s1
InChIKeyJFWBZTTZWDZTBJ-HNNXBMFYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.78
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

(2,2-Dimethyl-4-methylidenetetradecan-3-yl)oxy-trimethylsilane
CID 134942941
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CID 134980552
t-Butyl-[2-(2,2-dimethyl-6-methylene-cyclohexylmethyl)-cyclopropoxy]-dimethyl-silane
CID 552481
4-Methoxy-2-methyl-3-trimethylsilylmethyl-1-undecene
CID 101635033
Tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-enoxy]-dimethylsilane
CID 140016705
Tert-butyl-dimethyl-(2,2,7-trimethyloct-7-en-3-yloxy)silane
CID 178046304
tert-butyl-dimethyl-[(4R)-8-methylnon-1-en-4-yl]oxysilane
CID 11492749
[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane
CID 15652076
tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane
CID 42612432
Tert-butyl-dimethyl-(2-methyl-4-methylidene-5-pentyldecan-3-yl)oxysilane
CID 101421066
[(3S,4R)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane
CID 101652429
[(3R,4R)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane
CID 101652430

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane (CID 150670949) is tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane is C=C(C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is JFWBZTTZWDZTBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-13(14-10-11-14)12-15(16(2,3)4)18-19(8,9)17(5,6)7/h14-15H,1,10-12H2,2-9H3/t15-/m0/s1.
What are the key properties of tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 282.54 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 150670949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).