tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane

C20H34OSi — CID 22559339

IUPACtert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane
SMILESCCCCC/C=C/c1ccccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34OSi/c1-7-8-9-10-11-14-18-15-12-13-16-19(18)17-21-22(5,6)20(2,3)4/h11-16H,7-10,17H2,1-6H3/b14-11+
InChIKeyMWGYUVOUXVEIHC-SDNWHVSQSA-N
MW318.58 g/mol
LogP6.80
Rot. Bonds8

About tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane (PubChem CID 22559339) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane
PubChem CID22559339
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Nametert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane
SMILESCCCCC/C=C/c1ccccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34OSi/c1-7-8-9-10-11-14-18-15-12-13-16-19(18)17-21-22(5,6)20(2,3)4/h11-16H,7-10,17H2,1-6H3/b14-11+
InChIKeyMWGYUVOUXVEIHC-SDNWHVSQSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane 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

tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane
CID 11110861
[(1E,3E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]trideca-1,3-dien-5-yl] acetate
CID 15925212
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
(E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(trimethylsilylmethyl)methanimine
CID 14687071
tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane
CID 10717621
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
CID 11100219
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane (CID 22559339) is tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane is CCCCC/C=C/c1ccccc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is MWGYUVOUXVEIHC-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H34OSi/c1-7-8-9-10-11-14-18-15-12-13-16-19(18)17-21-22(5,6)20(2,3)4/h11-16H,7-10,17H2,1-6H3/b14-11+.
What are the key properties of tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 22559339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).