(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one

C15H24OSi — CID 135007860

IUPAC(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one
SMILESCC1(C)C2C=C(C(=O)/C=C/[Si](C)(C)C)C1CC2
InChIInChI=1S/C15H24OSi/c1-15(2)11-6-7-13(15)12(10-11)14(16)8-9-17(3,4)5/h8-11,13H,6-7H2,1-5H3/b9-8+
InChIKeySQOZJRVPNNATAK-CMDGGOBGSA-N
MW248.44 g/mol
LogP3.98
Rot. Bonds3

About (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one

(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one (PubChem CID 135007860) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one
PubChem CID135007860
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one
SMILESCC1(C)C2C=C(C(=O)/C=C/[Si](C)(C)C)C1CC2
InChIInChI=1S/C15H24OSi/c1-15(2)11-6-7-13(15)12(10-11)14(16)8-9-17(3,4)5/h8-11,13H,6-7H2,1-5H3/b9-8+
InChIKeySQOZJRVPNNATAK-CMDGGOBGSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one (CID 135007860) is (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one is CC1(C)C2C=C(C(=O)/C=C/[Si](C)(C)C)C1CC2.
What is the InChIKey of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one?
The InChIKey is SQOZJRVPNNATAK-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H24OSi/c1-15(2)11-6-7-13(15)12(10-11)14(16)8-9-17(3,4)5/h8-11,13H,6-7H2,1-5H3/b9-8+.
What are the key properties of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one?
(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one has a molecular weight of 248.44 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 135007860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).