6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal

C22H32O2Si — CID 10948276

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal
SMILESCC(C)(C)[Si](C)(C)OC(CCCCC=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-21(13-7-6-10-16-23)20-15-14-18-11-8-9-12-19(18)17-20/h8-9,11-12,14-17,21H,6-7,10,13H2,1-5H3
InChIKeyRYIDAEVCJMUIGH-UHFFFAOYSA-N
MW356.58 g/mol
LogP6.66
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal

6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal (PubChem CID 10948276) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal
PubChem CID10948276
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal
SMILESCC(C)(C)[Si](C)(C)OC(CCCCC=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-21(13-7-6-10-16-23)20-15-14-18-11-8-9-12-19(18)17-20/h8-9,11-12,14-17,21H,6-7,10,13H2,1-5H3
InChIKeyRYIDAEVCJMUIGH-UHFFFAOYSA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal (CID 10948276) is 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal is CC(C)(C)[Si](C)(C)OC(CCCCC=O)c1ccc2ccccc2c1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal?
The InChIKey is RYIDAEVCJMUIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-21(13-7-6-10-16-23)20-15-14-18-11-8-9-12-19(18)17-20/h8-9,11-12,14-17,21H,6-7,10,13H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal?
6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal has a molecular weight of 356.58 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-6-naphthalen-2-ylhexanal is sourced from PubChem (CID 10948276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).