tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane

C27H36O2Si — CID 102443872

IUPACtert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane
SMILESC=CC(C1=C(CCCO[Si](C)(C)C(C)(C)C)OCc2ccccc21)c1ccccc1
InChIInChI=1S/C27H36O2Si/c1-7-23(21-14-9-8-10-15-21)26-24-17-12-11-16-22(24)20-28-25(26)18-13-19-29-30(5,6)27(2,3)4/h7-12,14-17,23H,1,13,18-20H2,2-6H3
InChIKeyFMLFTYWSAWHQSH-UHFFFAOYSA-N
MW420.67 g/mol
LogP7.70
Rot. Bonds8

About tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane

tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane (PubChem CID 102443872) has the molecular formula C27H36O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane
PubChem CID102443872
Molecular FormulaC27H36O2Si
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Nametert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane
SMILESC=CC(C1=C(CCCO[Si](C)(C)C(C)(C)C)OCc2ccccc21)c1ccccc1
InChIInChI=1S/C27H36O2Si/c1-7-23(21-14-9-8-10-15-21)26-24-17-12-11-16-22(24)20-28-25(26)18-13-19-29-30(5,6)27(2,3)4/h7-12,14-17,23H,1,13,18-20H2,2-6H3
InChIKeyFMLFTYWSAWHQSH-UHFFFAOYSA-N
XLogP7.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane 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

4-butyl-3-fluoro-1-phenyl-1H-isochromene
CID 101716713
(R)-4-Benzyloxy-2-methylbutyl tert-butyldiphenylsilyl ether
CID 23727942
[(2R,3R)-3-fluoro-2-phenyloxolan-2-yl]methyl-(4-methylphenyl)-di(propan-2-yl)silane
CID 44471821
3-Methyl-3-phenyl-3,4-dihydro-1H-2-benzopyran
CID 15187031
1,4-Dimeth-oxy-2,4-diphenylbutane
CID 86013842
triethyl-[(2R,3R)-4-methyl-2-phenyl-3-propan-2-yl-2,3-dihydrofuran-5-yl]silane
CID 101730997
triethyl-[(2R,3R)-4-methyl-2,3-diphenyl-2,3-dihydrofuran-5-yl]silane
CID 101731001
3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene
CID 102443866
3-butyl-4-(1-phenylprop-2-enyl)-1H-isochromene
CID 102443867
4-but-3-en-2-yl-3-phenyl-1H-isochromene
CID 102443868
4-(2-methylbut-3-en-2-yl)-3-phenyl-1H-isochromene
CID 102443869
4-(1-phenylprop-2-enyl)-1H-isochromene
CID 102443873

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane (CID 102443872) is tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane is C=CC(C1=C(CCCO[Si](C)(C)C(C)(C)C)OCc2ccccc21)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane?
The InChIKey is FMLFTYWSAWHQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2Si/c1-7-23(21-14-9-8-10-15-21)26-24-17-12-11-16-22(24)20-28-25(26)18-13-19-29-30(5,6)27(2,3)4/h7-12,14-17,23H,1,13,18-20H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane?
tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane has a molecular weight of 420.67 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane is sourced from PubChem (CID 102443872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).