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

C16H26OSi — CID 135053555

IUPAC(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one
SMILESC/C(=C\[Si](C)(C)C)C(=O)C1=CC2CCC1C2(C)C
InChIInChI=1S/C16H26OSi/c1-11(10-18(4,5)6)15(17)13-9-12-7-8-14(13)16(12,2)3/h9-10,12,14H,7-8H2,1-6H3/b11-10+
InChIKeyZBGJRIZNYHAFMK-ZHACJKMWSA-N
MW262.47 g/mol
LogP4.37
Rot. Bonds3

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

(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one (PubChem CID 135053555) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one
PubChem CID135053555
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one
SMILESC/C(=C\[Si](C)(C)C)C(=O)C1=CC2CCC1C2(C)C
InChIInChI=1S/C16H26OSi/c1-11(10-18(4,5)6)15(17)13-9-12-7-8-14(13)16(12,2)3/h9-10,12,14H,7-8H2,1-6H3/b11-10+
InChIKeyZBGJRIZNYHAFMK-ZHACJKMWSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.37
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Solavetivone
CID 442399
(-)-Acorenone
CID 12480741
2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one
CID 521550
Npc246622
CID 573024
(1S,7S,8Z,11R,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-3,8-dien-5-one
CID 15377906
Hypoestenone
CID 10424900
(1R,3E,7E,11S,12R)-Dolabella-3,7,18-Trien-9-One
CID 49831551
Acorenone B
CID 21674978
Eduenone
CID 10424127
(1S,3aS,9E,12Z)-3a,10-dimethyl-6-methylidene-1-propan-2-yl-2,3,4,7,8,11-hexahydro-1H-cyclopenta[11]annulen-5-one
CID 16091550
Dolabellane
CID 10469260
(3aS,5E,9E,12aR)-3a,6,10-trimethyl-1-propan-2-ylidene-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-2-one
CID 5469365

Frequently Asked Questions

What is the IUPAC name of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one (CID 135053555) is (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-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)-2-methyl-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one is C/C(=C\[Si](C)(C)C)C(=O)C1=CC2CCC1C2(C)C.
What is the InChIKey of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one?
The InChIKey is ZBGJRIZNYHAFMK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H26OSi/c1-11(10-18(4,5)6)15(17)13-9-12-7-8-14(13)16(12,2)3/h9-10,12,14H,7-8H2,1-6H3/b11-10+.
What are the key properties of (E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one?
(E)-1-(7,7-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-2-methyl-3-trimethylsilylprop-2-en-1-one has a molecular weight of 262.47 g/mol, XLogP of 4.37, 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)-2-methyl-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 135053555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).