(1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile

C24H25NO5Si — CID 54505205

IUPAC(1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
SMILESCC[C@@H]1CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@]1(C#N)O[Si](C)(C)C
InChIInChI=1S/C24H25NO5Si/c1-5-13-9-10-14-17(24(13,12-25)30-31(2,3)4)11-16-20(22(14)28)23(29)19-15(21(16)27)7-6-8-18(19)26/h6-8,11,13,26,28H,5,9-10H2,1-4H3/t13-,24-/m1/s1
InChIKeyYFESICKINDJPJJ-YEBMWUKDSA-N
MW435.55 g/mol
LogP4.42
Rot. Bonds3

About (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile

(1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile (PubChem CID 54505205) has the molecular formula C24H25NO5Si and a molecular weight of 435.55 g/mol. Its IUPAC name is (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile.

Molecular Properties

Compound Name(1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
PubChem CID54505205
Molecular FormulaC24H25NO5Si
Molecular Weight435.55 g/mol
Exact Mass435.15
IUPAC Name(1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
SMILESCC[C@@H]1CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@]1(C#N)O[Si](C)(C)C
InChIInChI=1S/C24H25NO5Si/c1-5-13-9-10-14-17(24(13,12-25)30-31(2,3)4)11-16-20(22(14)28)23(29)19-15(21(16)27)7-6-8-18(19)26/h6-8,11,13,26,28H,5,9-10H2,1-4H3/t13-,24-/m1/s1
InChIKeyYFESICKINDJPJJ-YEBMWUKDSA-N
XLogP4.42
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
The IUPAC name of (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile (CID 54505205) is (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile.
What is the SMILES notation for (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
The canonical SMILES for (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile is CC[C@@H]1CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@]1(C#N)O[Si](C)(C)C.
What is the InChIKey of (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
The InChIKey is YFESICKINDJPJJ-YEBMWUKDSA-N. The full InChI is InChI=1S/C24H25NO5Si/c1-5-13-9-10-14-17(24(13,12-25)30-31(2,3)4)11-16-20(22(14)28)23(29)19-15(21(16)27)7-6-8-18(19)26/h6-8,11,13,26,28H,5,9-10H2,1-4H3/t13-,24-/m1/s1.
What are the key properties of (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
(1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile has a molecular weight of 435.55 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile is sourced from PubChem (CID 54505205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).