10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid

C19H23NO3Si — CID 21276390

IUPAC10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)N1c2ccccc2Oc2c(C(=O)O)cccc21
InChIInChI=1S/C19H23NO3Si/c1-19(2,3)24(4,5)20-14-10-6-7-12-16(14)23-17-13(18(21)22)9-8-11-15(17)20/h6-12H,1-5H3,(H,21,22)
InChIKeyBSRSCCCPNRMOJA-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.63
Rot. Bonds2

About 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid

10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid (PubChem CID 21276390) has the molecular formula C19H23NO3Si and a molecular weight of 341.48 g/mol. Its IUPAC name is 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid.

Molecular Properties

Compound Name10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid
PubChem CID21276390
Molecular FormulaC19H23NO3Si
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)N1c2ccccc2Oc2c(C(=O)O)cccc21
InChIInChI=1S/C19H23NO3Si/c1-19(2,3)24(4,5)20-14-10-6-7-12-16(14)23-17-13(18(21)22)9-8-11-15(17)20/h6-12H,1-5H3,(H,21,22)
InChIKeyBSRSCCCPNRMOJA-UHFFFAOYSA-N
XLogP5.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid?
The IUPAC name of 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid (CID 21276390) is 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid.
What is the SMILES notation for 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid?
The canonical SMILES for 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid is CC(C)(C)[Si](C)(C)N1c2ccccc2Oc2c(C(=O)O)cccc21.
What is the InChIKey of 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid?
The InChIKey is BSRSCCCPNRMOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3Si/c1-19(2,3)24(4,5)20-14-10-6-7-12-16(14)23-17-13(18(21)22)9-8-11-15(17)20/h6-12H,1-5H3,(H,21,22).
What are the key properties of 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid?
10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid has a molecular weight of 341.48 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid is sourced from PubChem (CID 21276390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).