(Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal

C25H27BrO2Si — CID 57336993

IUPAC(Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)Oc1c(/C=C\C=O)c(-c2ccccc2Br)cc2ccccc12
InChIInChI=1S/C25H27BrO2Si/c1-25(2,3)29(4,5)28-24-19-12-7-6-11-18(19)17-22(21(24)14-10-16-27)20-13-8-9-15-23(20)26/h6-17H,1-5H3/b14-10-
InChIKeyMFPHFOKGNPFTDY-UVTDQMKNSA-N
MW467.48 g/mol
LogP7.87
Rot. Bonds5

About (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal

(Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal (PubChem CID 57336993) has the molecular formula C25H27BrO2Si and a molecular weight of 467.48 g/mol. Its IUPAC name is (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal
PubChem CID57336993
Molecular FormulaC25H27BrO2Si
Molecular Weight467.48 g/mol
Exact Mass466.10
IUPAC Name(Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)Oc1c(/C=C\C=O)c(-c2ccccc2Br)cc2ccccc12
InChIInChI=1S/C25H27BrO2Si/c1-25(2,3)29(4,5)28-24-19-12-7-6-11-18(19)17-22(21(24)14-10-16-27)20-13-8-9-15-23(20)26/h6-17H,1-5H3/b14-10-
InChIKeyMFPHFOKGNPFTDY-UVTDQMKNSA-N
XLogP7.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal?
The IUPAC name of (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal (CID 57336993) is (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal.
What is the SMILES notation for (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal?
The canonical SMILES for (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal is CC(C)(C)[Si](C)(C)Oc1c(/C=C\C=O)c(-c2ccccc2Br)cc2ccccc12.
What is the InChIKey of (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal?
The InChIKey is MFPHFOKGNPFTDY-UVTDQMKNSA-N. The full InChI is InChI=1S/C25H27BrO2Si/c1-25(2,3)29(4,5)28-24-19-12-7-6-11-18(19)17-22(21(24)14-10-16-27)20-13-8-9-15-23(20)26/h6-17H,1-5H3/b14-10-.
What are the key properties of (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal?
(Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal has a molecular weight of 467.48 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(2-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]prop-2-enal is sourced from PubChem (CID 57336993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).