tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane

C24H32O6Si — CID 50900502

IUPACtert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C/c2cc3c(c(OC)c2OC)OCO3)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H32O6Si/c1-24(2,3)31(7,8)30-19-13-16(10-12-18(19)25-4)9-11-17-14-20-22(29-15-28-20)23(27-6)21(17)26-5/h9-14H,15H2,1-8H3/b11-9+
InChIKeyRZWBTKKKDAVHGI-PKNBQFBNSA-N
MW444.60 g/mol
LogP6.00
Rot. Bonds7

About tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane

tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane (PubChem CID 50900502) has the molecular formula C24H32O6Si and a molecular weight of 444.60 g/mol. Its IUPAC name is tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
PubChem CID50900502
Molecular FormulaC24H32O6Si
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Nametert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C/c2cc3c(c(OC)c2OC)OCO3)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H32O6Si/c1-24(2,3)31(7,8)30-19-13-16(10-12-18(19)25-4)9-11-17-14-20-22(29-15-28-20)23(27-6)21(17)26-5/h9-14H,15H2,1-8H3/b11-9+
InChIKeyRZWBTKKKDAVHGI-PKNBQFBNSA-N
XLogP6.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-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-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900668
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
CID 53397162
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]aniline
CID 6311286
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
(E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 42647939
1-(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 171132036
2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,3-diol
CID 71459992
5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
CID 167725112
tert-butyl-[2-methoxy-5-(7,8,9-trimethoxy-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]-dimethylsilane
CID 144536058

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane (CID 50900502) is tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane is COc1ccc(/C=C/c2cc3c(c(OC)c2OC)OCO3)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The InChIKey is RZWBTKKKDAVHGI-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H32O6Si/c1-24(2,3)31(7,8)30-19-13-16(10-12-18(19)25-4)9-11-17-14-20-22(29-15-28-20)23(27-6)21(17)26-5/h9-14H,15H2,1-8H3/b11-9+.
What are the key properties of tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane has a molecular weight of 444.60 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane is sourced from PubChem (CID 50900502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).