ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate

C20H22O3 — CID 73056724

IUPACethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate
SMILESCCOC(=O)CCC(=O)CC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C20H22O3/c1-2-23-20(22)14-13-19(21)10-6-3-7-16-11-12-17-8-4-5-9-18(17)15-16/h3-5,7-9,11-12,15H,2,6,10,13-14H2,1H3/b7-3+
InChIKeyKVXLMSZLTDKQBF-XVNBXDOJSA-N
MW310.39 g/mol
LogP4.55
Rot. Bonds8

About ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate

ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate (PubChem CID 73056724) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate.

Molecular Properties

Compound Nameethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate
PubChem CID73056724
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nameethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate
SMILESCCOC(=O)CCC(=O)CC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C20H22O3/c1-2-23-20(22)14-13-19(21)10-6-3-7-16-11-12-17-8-4-5-9-18(17)15-16/h3-5,7-9,11-12,15H,2,6,10,13-14H2,1H3/b7-3+
InChIKeyKVXLMSZLTDKQBF-XVNBXDOJSA-N
XLogP4.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
dimethyl 2-[(E)-5-naphthalen-2-ylpent-4-enyl]propanedioate
CID 135072454
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
ethyl (E)-7-phenylhept-6-enoate
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ethyl 4-isoquinolin-6-ylbut-3-enoate
CID 170796328
2-[(E)-dodec-1-enyl]naphthalene
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2-[(E)-docos-1-enyl]naphthalene
CID 101307759
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
(E)-5-naphthalen-2-ylpent-4-en-1-ol
CID 11252836
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
ethyl 3-naphthalen-2-ylsulfinylpropanoate
CID 61302771

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate?
The IUPAC name of ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate (CID 73056724) is ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate.
What is the SMILES notation for ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate?
The canonical SMILES for ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate is CCOC(=O)CCC(=O)CC/C=C/c1ccc2ccccc2c1.
What is the InChIKey of ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate?
The InChIKey is KVXLMSZLTDKQBF-XVNBXDOJSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-23-20(22)14-13-19(21)10-6-3-7-16-11-12-17-8-4-5-9-18(17)15-16/h3-5,7-9,11-12,15H,2,6,10,13-14H2,1H3/b7-3+.
What are the key properties of ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate?
ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate has a molecular weight of 310.39 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate is sourced from PubChem (CID 73056724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).