(3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone

C28H33BrO4Si — CID 102062227

IUPAC(3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone
SMILESC=Cc1c([Si](C)(C)C(C)(C)C)oc(C(=O)c2cc3c(OC)ccc(OC)c3cc2Br)c1C(=C)C
InChIInChI=1S/C28H33BrO4Si/c1-11-17-24(16(2)3)26(33-27(17)34(9,10)28(4,5)6)25(30)20-14-18-19(15-21(20)29)23(32-8)13-12-22(18)31-7/h11-15H,1-2H2,3-10H3
InChIKeyYHSURIDCQSXGJC-UHFFFAOYSA-N
MW541.56 g/mol
LogP7.84
Rot. Bonds7

About (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone

(3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone (PubChem CID 102062227) has the molecular formula C28H33BrO4Si and a molecular weight of 541.56 g/mol. Its IUPAC name is (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone
PubChem CID102062227
Molecular FormulaC28H33BrO4Si
Molecular Weight541.56 g/mol
Exact Mass540.13
IUPAC Name(3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone
SMILESC=Cc1c([Si](C)(C)C(C)(C)C)oc(C(=O)c2cc3c(OC)ccc(OC)c3cc2Br)c1C(=C)C
InChIInChI=1S/C28H33BrO4Si/c1-11-17-24(16(2)3)26(33-27(17)34(9,10)28(4,5)6)25(30)20-14-18-19(15-21(20)29)23(32-8)13-12-22(18)31-7/h11-15H,1-2H2,3-10H3
InChIKeyYHSURIDCQSXGJC-UHFFFAOYSA-N
XLogP7.84
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.56
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(4-ethenyl-3-prop-1-en-2-ylfuran-2-yl)methyl]-5,8-dimethoxynaphthalen-2-yl] trifluoromethanesulfonate
CID 134972786
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
CID 63942621
3-ethenyl-4-hydroxy-5-methoxy-2-oxochromene-8-carboxylic acid
CID 174454276
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
CID 11701906
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
(2-acetyl-6-bromo-3-methoxyphenyl) 2-chlorobenzoate
CID 5314981
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114973441
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
N-(2-ethenyl-3-methoxyphenyl)-2,2-dimethylpropanamide
CID 20571856

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone?
The IUPAC name of (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone (CID 102062227) is (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone.
What is the SMILES notation for (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone?
The canonical SMILES for (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone is C=Cc1c([Si](C)(C)C(C)(C)C)oc(C(=O)c2cc3c(OC)ccc(OC)c3cc2Br)c1C(=C)C.
What is the InChIKey of (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone?
The InChIKey is YHSURIDCQSXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33BrO4Si/c1-11-17-24(16(2)3)26(33-27(17)34(9,10)28(4,5)6)25(30)20-14-18-19(15-21(20)29)23(32-8)13-12-22(18)31-7/h11-15H,1-2H2,3-10H3.
What are the key properties of (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone?
(3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone has a molecular weight of 541.56 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5,8-dimethoxynaphthalen-2-yl)-[5-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-prop-1-en-2-ylfuran-2-yl]methanone is sourced from PubChem (CID 102062227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).