tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane

C18H34O2Si — CID 10686438

IUPACtert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane
SMILESCC(C)=CCO[C@H]1C=CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-15(2)13-14-19-16-11-9-8-10-12-17(16)20-21(6,7)18(3,4)5/h9,11,13,16-17H,8,10,12,14H2,1-7H3/t16-,17-/m0/s1
InChIKeyIWKGAQBFQMACLL-IRXDYDNUSA-N
MW310.55 g/mol
LogP5.47
Rot. Bonds5

About tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane (PubChem CID 10686438) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane
PubChem CID10686438
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane
SMILESCC(C)=CCO[C@H]1C=CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-15(2)13-14-19-16-11-9-8-10-12-17(16)20-21(6,7)18(3,4)5/h9,11,13,16-17H,8,10,12,14H2,1-7H3/t16-,17-/m0/s1
InChIKeyIWKGAQBFQMACLL-IRXDYDNUSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
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CID 89395602
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylcyclohept-3-en-1-yl]oxy-dimethylsilane
CID 12162138
tert-butyl-[[(2S,5S)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630664
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5Z)-6-methoxy-2,7-dimethylocta-1,5,7-trien-4-yl]oxyhept-6-enoxy]-dimethylsilane
CID 134939172
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane (CID 10686438) is tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane is CC(C)=CCO[C@H]1C=CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane?
The InChIKey is IWKGAQBFQMACLL-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-15(2)13-14-19-16-11-9-8-10-12-17(16)20-21(6,7)18(3,4)5/h9,11,13,16-17H,8,10,12,14H2,1-7H3/t16-,17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane has a molecular weight of 310.55 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,2S)-2-(3-methylbut-2-enoxy)cyclohept-3-en-1-yl]oxysilane is sourced from PubChem (CID 10686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).