[(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane

C20H28Si — CID 11403732

IUPAC[(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane
SMILESC[Si](C)(/C=C/C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H28Si/c1-21(2,19-6-4-3-5-7-19)9-8-20-13-16-10-17(14-20)12-18(11-16)15-20/h3-9,16-18H,10-15H2,1-2H3/b9-8+
InChIKeyRXTAVVCRNYUXFM-CMDGGOBGSA-N
MW296.53 g/mol
LogP4.91
Rot. Bonds3

About [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane

[(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane (PubChem CID 11403732) has the molecular formula C20H28Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane
PubChem CID11403732
Molecular FormulaC20H28Si
Molecular Weight296.53 g/mol
Exact Mass296.20
IUPAC Name[(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane
SMILESC[Si](C)(/C=C/C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H28Si/c1-21(2,19-6-4-3-5-7-19)9-8-20-13-16-10-17(14-20)12-18(11-16)15-20/h3-9,16-18H,10-15H2,1-2H3/b9-8+
InChIKeyRXTAVVCRNYUXFM-CMDGGOBGSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

p-(1-Adamantyl)toluene
CID 300774
1-Phenyladamantane
CID 522696
Tricyclo(3.3.1.13,7)decane, 1-(phenylethenyl)-
CID 144631
1-(3,5-Dimethylphenyl)adamantane
CID 522511
1,3-DI-P-Tolyl-adamantane
CID 3088999
Phenyltris(2-cyclohexylethyl)silane
CID 4146190
1-(3-Methylphenyl)-adamantane
CID 527332
1-(4-Isopropylphenyl)adamantane
CID 536620
1-Benzyladamantane
CID 584912
1-(4-Ethylphenyl)adamantane
CID 603063
1-p-t-Butylphenyladamantane
CID 620000
1-Benzhydryladamantane
CID 10891996

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane?
The IUPAC name of [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane (CID 11403732) is [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane?
The canonical SMILES for [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane is C[Si](C)(/C=C/C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane?
The InChIKey is RXTAVVCRNYUXFM-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H28Si/c1-21(2,19-6-4-3-5-7-19)9-8-20-13-16-10-17(14-20)12-18(11-16)15-20/h3-9,16-18H,10-15H2,1-2H3/b9-8+.
What are the key properties of [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane?
[(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane has a molecular weight of 296.53 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(1-adamantyl)ethenyl]-dimethyl-phenylsilane is sourced from PubChem (CID 11403732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).