dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane

C19H26Si — CID 102123922

IUPACdimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane
SMILESC[C@@H]1[C@@H]2C=C[C@H]1/C(=C/[C@@H](C)[Si](C)(C)c1ccccc1)C2
InChIInChI=1S/C19H26Si/c1-14(20(3,4)18-8-6-5-7-9-18)12-17-13-16-10-11-19(17)15(16)2/h5-12,14-16,19H,13H2,1-4H3/b17-12+/t14-,15-,16-,19-/m1/s1
InChIKeyGDFUJVCLWVUKAY-ZXYNHRKHSA-N
MW282.50 g/mol
LogP4.76
Rot. Bonds3

About dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane

dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane (PubChem CID 102123922) has the molecular formula C19H26Si and a molecular weight of 282.50 g/mol. Its IUPAC name is dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane
PubChem CID102123922
Molecular FormulaC19H26Si
Molecular Weight282.50 g/mol
Exact Mass282.18
IUPAC Namedimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane
SMILESC[C@@H]1[C@@H]2C=C[C@H]1/C(=C/[C@@H](C)[Si](C)(C)c1ccccc1)C2
InChIInChI=1S/C19H26Si/c1-14(20(3,4)18-8-6-5-7-9-18)12-17-13-16-10-11-19(17)15(16)2/h5-12,14-16,19H,13H2,1-4H3/b17-12+/t14-,15-,16-,19-/m1/s1
InChIKeyGDFUJVCLWVUKAY-ZXYNHRKHSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane?
The IUPAC name of dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane (CID 102123922) is dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane?
The canonical SMILES for dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane is C[C@@H]1[C@@H]2C=C[C@H]1/C(=C/[C@@H](C)[Si](C)(C)c1ccccc1)C2.
What is the InChIKey of dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane?
The InChIKey is GDFUJVCLWVUKAY-ZXYNHRKHSA-N. The full InChI is InChI=1S/C19H26Si/c1-14(20(3,4)18-8-6-5-7-9-18)12-17-13-16-10-11-19(17)15(16)2/h5-12,14-16,19H,13H2,1-4H3/b17-12+/t14-,15-,16-,19-/m1/s1.
What are the key properties of dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane?
dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1E,2R)-1-[(1R,4S,7R)-7-methyl-2-bicyclo[2.2.1]hept-5-enylidene]propan-2-yl]-phenylsilane is sourced from PubChem (CID 102123922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).