[tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate

C20H28O2Si — CID 102595204

IUPAC[tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate
SMILESCc1ccc([C@@H](C)C(=O)O[Si](C)(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C20H28O2Si/c1-14-12-13-17(18-11-9-8-10-16(14)18)15(2)19(21)22-23(6,7)20(3,4)5/h8-13,15H,1-7H3/t15-/m1/s1
InChIKeyOPNDLOGDYMTQJG-OAHLLOKOSA-N
MW328.53 g/mol
LogP5.80
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate

[tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate (PubChem CID 102595204) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate
PubChem CID102595204
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Name[tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate
SMILESCc1ccc([C@@H](C)C(=O)O[Si](C)(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C20H28O2Si/c1-14-12-13-17(18-11-9-8-10-16(14)18)15(2)19(21)22-23(6,7)20(3,4)5/h8-13,15H,1-7H3/t15-/m1/s1
InChIKeyOPNDLOGDYMTQJG-OAHLLOKOSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.80
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 [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate (CID 102595204) is [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate is Cc1ccc([C@@H](C)C(=O)O[Si](C)(C)C(C)(C)C)c2ccccc12.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
The InChIKey is OPNDLOGDYMTQJG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28O2Si/c1-14-12-13-17(18-11-9-8-10-16(14)18)15(2)19(21)22-23(6,7)20(3,4)5/h8-13,15H,1-7H3/t15-/m1/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
[tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate has a molecular weight of 328.53 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate is sourced from PubChem (CID 102595204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).