1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone

C21H30O2Si — CID 19933713

IUPAC1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(CC(C)O[Si](C)(C)C(C)(C)C)ccc2c1
InChIInChI=1S/C21H30O2Si/c1-15(23-24(6,7)21(3,4)5)12-17-8-9-20-14-18(16(2)22)10-11-19(20)13-17/h8-11,13-15H,12H2,1-7H3
InChIKeyDLZHHJJNSPOJQC-UHFFFAOYSA-N
MW342.56 g/mol
LogP6.00
Rot. Bonds5

About 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone

1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone (PubChem CID 19933713) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone
PubChem CID19933713
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Name1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(CC(C)O[Si](C)(C)C(C)(C)C)ccc2c1
InChIInChI=1S/C21H30O2Si/c1-15(23-24(6,7)21(3,4)5)12-17-8-9-20-14-18(16(2)22)10-11-19(20)13-17/h8-11,13-15H,12H2,1-7H3
InChIKeyDLZHHJJNSPOJQC-UHFFFAOYSA-N
XLogP6.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone (CID 19933713) is 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone is CC(=O)c1ccc2cc(CC(C)O[Si](C)(C)C(C)(C)C)ccc2c1.
What is the InChIKey of 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone?
The InChIKey is DLZHHJJNSPOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-15(23-24(6,7)21(3,4)5)12-17-8-9-20-14-18(16(2)22)10-11-19(20)13-17/h8-11,13-15H,12H2,1-7H3.
What are the key properties of 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone?
1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone has a molecular weight of 342.56 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]naphthalen-2-yl]ethanone is sourced from PubChem (CID 19933713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).