[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane

C14H26OSi — CID 11436362

IUPAC[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C14H26OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m0/s1
InChIKeyGHJXBXLXHYSKOA-YNEHKIRRSA-N
MW238.45 g/mol
LogP4.22
Rot. Bonds3

About [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane

[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11436362) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
PubChem CID11436362
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C14H26OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m0/s1
InChIKeyGHJXBXLXHYSKOA-YNEHKIRRSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.22
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'}

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Related Compounds

2-bicyclo[2.2.1]hept-5-enylmethoxy-tri(propan-2-yl)silane
CID 100919043
2-bicyclo[2.2.1]hept-5-enylmethoxy-ethyl-methyl-phenylsilane
CID 140775718
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
CID 158426911
bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
CID 22983009
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene
CID 142112482
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 169018395
5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane (CID 11436362) is [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is GHJXBXLXHYSKOA-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H26OSi/c1-14(2,3)16(4,5)15-10-13-9-11-6-7-12(13)8-11/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m0/s1.
What are the key properties of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane?
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11436362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).