2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate

C25H25NO3 — CID 153378255

IUPAC2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate
SMILESCCCCC(CC)COC(=O)/C(C#N)=c1/ccc2c(c1)C(=O)c1ccccc1C=2
InChIInChI=1S/C25H25NO3/c1-3-5-8-17(4-2)16-29-25(28)23(15-26)20-12-11-19-13-18-9-6-7-10-21(18)24(27)22(19)14-20/h6-7,9-14,17H,3-5,8,16H2,1-2H3/b23-20-
InChIKeyYCPPGCQXBQSBFA-ATJXCDBQSA-N
MW387.48 g/mol
LogP3.49
Rot. Bonds7

About 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate

2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate (PubChem CID 153378255) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate.

Molecular Properties

Compound Name2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate
PubChem CID153378255
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate
SMILESCCCCC(CC)COC(=O)/C(C#N)=c1/ccc2c(c1)C(=O)c1ccccc1C=2
InChIInChI=1S/C25H25NO3/c1-3-5-8-17(4-2)16-29-25(28)23(15-26)20-12-11-19-13-18-9-6-7-10-21(18)24(27)22(19)14-20/h6-7,9-14,17H,3-5,8,16H2,1-2H3/b23-20-
InChIKeyYCPPGCQXBQSBFA-ATJXCDBQSA-N
XLogP3.49
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate
CID 153378187
benzo[g]quinoline-5,10-dione;2-ethylhexyl 2-cyanoacetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxobenzo[g]quinolin-10-ylidene)acetate
CID 158728601
2-ethylhexyl (2E)-2-cyano-2-[(5E)-5-[1-cyano-2-(2-ethylhexoxy)-2-oxoethylidene]anthracen-1-ylidene]acetate
CID 153378262
2-ethylhexyl (2Z)-2-cyano-2-(5-oxobenzo[g]quinazolin-10-ylidene)acetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxobenzo[g]quinolin-10-ylidene)acetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxopyrido[2,3-g]quinolin-10-ylidene)acetate;2-ethylhexyl 2-cyano-2-(5-oxopyrido[3,2-g]quinolin-10-ylidene)acetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxopyrimido[4,5-g]quinazolin-10-ylidene)acetate
CID 158046803
3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethylhexyl 2-cyanoacetate;2-ethylhexyl (2Z)-2-cyano-2-(3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 160968224
2-ethylhexyl (2Z)-2-[3-(butan-2-ylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-2-cyanoacetate
CID 25093733
2-ethylhexyl prop-2-enoate;2-phenylbenzonitrile
CID 159865523
2-ethylhexyl 2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 66661267
2-ethylhexyl (2Z)-2-[3-[butan-2-yl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]-2-cyanoacetate
CID 58390591
2-ethylhexyl (Z)-3-[4-(2-bromoethoxy)phenyl]-2-cyano-3-phenylprop-2-enoate
CID 134497655
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-ethylhexyl 5-(9,10-dioxoanthracen-2-yl)-5-methylhexanoate
CID 54150955

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate?
The IUPAC name of 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate (CID 153378255) is 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate.
What is the SMILES notation for 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate?
The canonical SMILES for 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate is CCCCC(CC)COC(=O)/C(C#N)=c1/ccc2c(c1)C(=O)c1ccccc1C=2.
What is the InChIKey of 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate?
The InChIKey is YCPPGCQXBQSBFA-ATJXCDBQSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-5-8-17(4-2)16-29-25(28)23(15-26)20-12-11-19-13-18-9-6-7-10-21(18)24(27)22(19)14-20/h6-7,9-14,17H,3-5,8,16H2,1-2H3/b23-20-.
What are the key properties of 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate?
2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate has a molecular weight of 387.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate is sourced from PubChem (CID 153378255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).