tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane

C18H32O2Si — CID 101270902

IUPACtert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
SMILESC=C[C@H]1CCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCCOC1
InChIInChI=1S/C18H32O2Si/c1-7-15-10-8-12-18(15,16-11-9-13-19-14-16)20-21(5,6)17(2,3)4/h7,11,15H,1,8-10,12-14H2,2-6H3/t15-,18-/m0/s1
InChIKeyYCHKCQJNHYLXSP-YJBOKZPZSA-N
MW308.54 g/mol
LogP5.08
Rot. Bonds4

About tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane (PubChem CID 101270902) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
PubChem CID101270902
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Nametert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
SMILESC=C[C@H]1CCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCCOC1
InChIInChI=1S/C18H32O2Si/c1-7-15-10-8-12-18(15,16-11-9-13-19-14-16)20-21(5,6)17(2,3)4/h7,11,15H,1,8-10,12-14H2,2-6H3/t15-,18-/m0/s1
InChIKeyYCHKCQJNHYLXSP-YJBOKZPZSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.08
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-[[(1S,5R)-7-(prop-2-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy]silane
CID 12111604
methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate
CID 101270915
tert-butyl-[[(1R,4S,5R,8S)-7-ethyl-9-methyl-11-oxatricyclo[6.2.1.01,5]undeca-6,9-dien-4-yl]oxy]-dimethylsilane
CID 134963235
tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
CID 135074719
[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane
CID 10017243
tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 68706705
[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
CID 10616607
[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
CID 10711669
tert-butyl-dimethyl-[2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 11154128
tert-butyl-[2-[(2R,6R)-2-[(2S)-2,4-dimethylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 11163570
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 12111605
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclohexyl]oxy-dimethylsilane
CID 12111606

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane (CID 101270902) is tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane is C=C[C@H]1CCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCCOC1.
What is the InChIKey of tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane?
The InChIKey is YCHKCQJNHYLXSP-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-7-15-10-8-12-18(15,16-11-9-13-19-14-16)20-21(5,6)17(2,3)4/h7,11,15H,1,8-10,12-14H2,2-6H3/t15-,18-/m0/s1.
What are the key properties of tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 5.08, 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-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 101270902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).