tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane

C19H34O2Si — CID 101270901

IUPACtert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane
SMILESC=C[C@H]1CCCCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCOC1
InChIInChI=1S/C19H34O2Si/c1-7-16-11-9-8-10-13-19(16,17-12-14-20-15-17)21-22(5,6)18(2,3)4/h7,12,16H,1,8-11,13-15H2,2-6H3/t16-,19-/m0/s1
InChIKeyZOEDMZVVUGOQBC-LPHOPBHVSA-N
MW322.57 g/mol
LogP5.47
Rot. Bonds4

About tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane

tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane (PubChem CID 101270901) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane
PubChem CID101270901
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane
SMILESC=C[C@H]1CCCCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCOC1
InChIInChI=1S/C19H34O2Si/c1-7-16-11-9-8-10-13-19(16,17-12-14-20-15-17)21-22(5,6)18(2,3)4/h7,12,16H,1,8-11,13-15H2,2-6H3/t16-,19-/m0/s1
InChIKeyZOEDMZVVUGOQBC-LPHOPBHVSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
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-[(1S,2R)-2-ethenyl-1-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopentyl]oxy-dimethylsilane
CID 101270903
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate
CID 102465254
tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
CID 102386072
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 67592724
trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
CID 102011598
tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
CID 10846938
(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11470770
[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
CID 10590805
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol
CID 135066713
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
CID 134967649
2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
CID 135044795

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane (CID 101270901) is tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane is C=C[C@H]1CCCCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCOC1.
What is the InChIKey of tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane?
The InChIKey is ZOEDMZVVUGOQBC-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-7-16-11-9-8-10-13-19(16,17-12-14-20-15-17)21-22(5,6)18(2,3)4/h7,12,16H,1,8-11,13-15H2,2-6H3/t16-,19-/m0/s1.
What are the key properties of tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane?
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane has a molecular weight of 322.57 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane is sourced from PubChem (CID 101270901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).