[3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane

C14H24OSi — CID 134987835

IUPAC[3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane
SMILESCC1(C)[C@@H]2CC=C(C3OC3[Si](C)(C)C)[C@H]1C2
InChIInChI=1S/C14H24OSi/c1-14(2)9-6-7-10(11(14)8-9)12-13(15-12)16(3,4)5/h7,9,11-13H,6,8H2,1-5H3/t9-,11-,12?,13?/m1/s1
InChIKeyJAGNBFLOSLLEIG-ZHVTWMSWSA-N
MW236.43 g/mol
LogP3.62
Rot. Bonds2

About [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane

[3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane (PubChem CID 134987835) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane
PubChem CID134987835
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name[3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane
SMILESCC1(C)[C@@H]2CC=C(C3OC3[Si](C)(C)C)[C@H]1C2
InChIInChI=1S/C14H24OSi/c1-14(2)9-6-7-10(11(14)8-9)12-13(15-12)16(3,4)5/h7,9,11-13H,6,8H2,1-5H3/t9-,11-,12?,13?/m1/s1
InChIKeyJAGNBFLOSLLEIG-ZHVTWMSWSA-N
XLogP3.62
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.62
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7,11,11-Trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene
CID 163038244
(1S,3S,5R,6E,10R)-7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene
CID 163038245
2-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}oxirane
CID 130002937
[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134997266
[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane
CID 134997267
Caryophyllene, 5,6-epoxide
CID 91752237
[2-[[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane
CID 102346011
2-({6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl)oxirane
CID 165615521
(2S)-2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}oxirane
CID 165693592
2-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}-2-methyloxirane
CID 165704883
(2R)-2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}oxirane
CID 165758194

Frequently Asked Questions

What is the IUPAC name of [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane?
The IUPAC name of [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane (CID 134987835) is [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane?
The canonical SMILES for [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane is CC1(C)[C@@H]2CC=C(C3OC3[Si](C)(C)C)[C@H]1C2.
What is the InChIKey of [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane?
The InChIKey is JAGNBFLOSLLEIG-ZHVTWMSWSA-N. The full InChI is InChI=1S/C14H24OSi/c1-14(2)9-6-7-10(11(14)8-9)12-13(15-12)16(3,4)5/h7,9,11-13H,6,8H2,1-5H3/t9-,11-,12?,13?/m1/s1.
What are the key properties of [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane?
[3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 134987835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).