2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile

C25H27NO5Si — CID 13224429

IUPAC2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
SMILESCCC1CCc2c(cc3c(c2O)C(=O)c2c(OC)cccc2C3=O)C1(C#N)O[Si](C)(C)C
InChIInChI=1S/C25H27NO5Si/c1-6-14-10-11-15-18(25(14,13-26)31-32(3,4)5)12-17-21(23(15)28)24(29)20-16(22(17)27)8-7-9-19(20)30-2/h7-9,12,14,28H,6,10-11H2,1-5H3
InChIKeyPLRRKONRELUEQB-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.72
Rot. Bonds4

About 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile

2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile (PubChem CID 13224429) has the molecular formula C25H27NO5Si and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
PubChem CID13224429
Molecular FormulaC25H27NO5Si
Molecular Weight449.58 g/mol
Exact Mass449.17
IUPAC Name2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
SMILESCCC1CCc2c(cc3c(c2O)C(=O)c2c(OC)cccc2C3=O)C1(C#N)O[Si](C)(C)C
InChIInChI=1S/C25H27NO5Si/c1-6-14-10-11-15-18(25(14,13-26)31-32(3,4)5)12-17-21(23(15)28)24(29)20-16(22(17)27)8-7-9-19(20)30-2/h7-9,12,14,28H,6,10-11H2,1-5H3
InChIKeyPLRRKONRELUEQB-UHFFFAOYSA-N
XLogP4.72
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
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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Related Compounds

(1R,2R)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
CID 54505205
(1R,2S)-2-ethyl-5-hydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile
CID 70505253
acetylene;(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142985248
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601
8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane
CID 145293696
methyl 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate
CID 23260671
11-amino-6-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 170275001
1-hydroxy-8-methoxy-3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]anthracene-9,10-dione
CID 95931143
6,11-dihydroxy-8-(2-hydroxyethanimidoyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 144566328
3-(1,3-dioxan-2-yl)-8-methoxy-1-(methoxymethoxy)anthracene-9,10-dione
CID 11047238
(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;(6S)-6-methyloxane-2,5-diol
CID 145305319

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
The IUPAC name of 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile (CID 13224429) is 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile.
What is the SMILES notation for 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
The canonical SMILES for 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile is CCC1CCc2c(cc3c(c2O)C(=O)c2c(OC)cccc2C3=O)C1(C#N)O[Si](C)(C)C.
What is the InChIKey of 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
The InChIKey is PLRRKONRELUEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5Si/c1-6-14-10-11-15-18(25(14,13-26)31-32(3,4)5)12-17-21(23(15)28)24(29)20-16(22(17)27)8-7-9-19(20)30-2/h7-9,12,14,28H,6,10-11H2,1-5H3.
What are the key properties of 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile?
2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile has a molecular weight of 449.58 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile is sourced from PubChem (CID 13224429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).