(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal

C27H32O4Si — CID 57336995

IUPAC(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal
SMILESCOc1cc(OC)cc(-c2cc3ccccc3c(O[Si](C)(C)C(C)(C)C)c2/C=C\C=O)c1
InChIInChI=1S/C27H32O4Si/c1-27(2,3)32(6,7)31-26-23-12-9-8-11-19(23)17-25(24(26)13-10-14-28)20-15-21(29-4)18-22(16-20)30-5/h8-18H,1-7H3/b13-10-
InChIKeyVGVZSSIBEOHPNK-RAXLEYEMSA-N
MW448.64 g/mol
LogP7.12
Rot. Bonds7

About (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal

(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal (PubChem CID 57336995) has the molecular formula C27H32O4Si and a molecular weight of 448.64 g/mol. Its IUPAC name is (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal
PubChem CID57336995
Molecular FormulaC27H32O4Si
Molecular Weight448.64 g/mol
Exact Mass448.21
IUPAC Name(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal
SMILESCOc1cc(OC)cc(-c2cc3ccccc3c(O[Si](C)(C)C(C)(C)C)c2/C=C\C=O)c1
InChIInChI=1S/C27H32O4Si/c1-27(2,3)32(6,7)31-26-23-12-9-8-11-19(23)17-25(24(26)13-10-14-28)20-15-21(29-4)18-22(16-20)30-5/h8-18H,1-7H3/b13-10-
InChIKeyVGVZSSIBEOHPNK-RAXLEYEMSA-N
XLogP7.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal
CID 57336993
(Z)-3-[5-[tert-butyl(dimethyl)silyl]oxy-7-phenylbenzo[f][1,3]benzodioxol-6-yl]prop-2-enal
CID 57337104
2-[3-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]ethanol
CID 170782164
9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
CID 25028120
1-(2-bromoethyl)-3-methoxynaphthalene
CID 174397212
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
3-(2-methylnaphthalen-1-yl)prop-2-enal
CID 169459674
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene
CID 68966616
2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
CID 105485586
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal?
The IUPAC name of (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal (CID 57336995) is (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal.
What is the SMILES notation for (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal?
The canonical SMILES for (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal is COc1cc(OC)cc(-c2cc3ccccc3c(O[Si](C)(C)C(C)(C)C)c2/C=C\C=O)c1.
What is the InChIKey of (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal?
The InChIKey is VGVZSSIBEOHPNK-RAXLEYEMSA-N. The full InChI is InChI=1S/C27H32O4Si/c1-27(2,3)32(6,7)31-26-23-12-9-8-11-19(23)17-25(24(26)13-10-14-28)20-15-21(29-4)18-22(16-20)30-5/h8-18H,1-7H3/b13-10-.
What are the key properties of (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal?
(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal has a molecular weight of 448.64 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethoxyphenyl)naphthalen-2-yl]prop-2-enal is sourced from PubChem (CID 57336995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).