tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane

C24H32O6Si — CID 50900668

IUPACtert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c3c(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(26-5)22-23(21(17)27-6)29-15-28-22/h9-14H,15H2,1-8H3/b11-9-
InChIKeyICPCSMQJATZHGM-LUAWRHEFSA-N
MW444.60 g/mol
LogP6.00
Rot. Bonds7

About tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane

tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane (PubChem CID 50900668) has the molecular formula C24H32O6Si and a molecular weight of 444.60 g/mol. Its IUPAC name is tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
PubChem CID50900668
Molecular FormulaC24H32O6Si
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Nametert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c3c(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(26-5)22-23(21(17)27-6)29-15-28-22/h9-14H,15H2,1-8H3/b11-9-
InChIKeyICPCSMQJATZHGM-LUAWRHEFSA-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'}

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Related Compounds

tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900502
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
1-(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 171132036
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
CID 11156035
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504
2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]aniline
CID 6311286
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
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-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane (CID 50900668) is tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane is COc1ccc(/C=C\c2cc(OC)c3c(c2OC)OCO3)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The InChIKey is ICPCSMQJATZHGM-LUAWRHEFSA-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(26-5)22-23(21(17)27-6)29-15-28-22/h9-14H,15H2,1-8H3/b11-9-.
What are the key properties of tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
tert-butyl-[5-[(Z)-2-(4,7-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-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane is sourced from PubChem (CID 50900668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).