tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane

C20H38O2Si — CID 46894988

IUPACtert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane
SMILESCC(C)=CCC[C@@]1(C)O[C@]2(C)CC[C@H]1[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-15(2)11-10-13-19(6)16-12-14-20(7,22-19)17(16)21-23(8,9)18(3,4)5/h11,16-17H,10,12-14H2,1-9H3/t16-,17+,19+,20+/m0/s1
InChIKeyFUCXJZMSCAWKFJ-ONCXSQPRSA-N
MW338.61 g/mol
LogP6.08
Rot. Bonds5

About tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane (PubChem CID 46894988) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane
PubChem CID46894988
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane
SMILESCC(C)=CCC[C@@]1(C)O[C@]2(C)CC[C@H]1[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-15(2)11-10-13-19(6)16-12-14-20(7,22-19)17(16)21-23(8,9)18(3,4)5/h11,16-17H,10,12-14H2,1-9H3/t16-,17+,19+,20+/m0/s1
InChIKeyFUCXJZMSCAWKFJ-ONCXSQPRSA-N
XLogP6.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.08
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane (CID 46894988) is tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane is CC(C)=CCC[C@@]1(C)O[C@]2(C)CC[C@H]1[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane?
The InChIKey is FUCXJZMSCAWKFJ-ONCXSQPRSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-15(2)11-10-13-19(6)16-12-14-20(7,22-19)17(16)21-23(8,9)18(3,4)5/h11,16-17H,10,12-14H2,1-9H3/t16-,17+,19+,20+/m0/s1.
What are the key properties of tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane has a molecular weight of 338.61 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane is sourced from PubChem (CID 46894988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).