ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate

C17H22O4 — CID 103484935

IUPACethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
SMILESCCOC(=O)CCC(=O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H22O4/c1-2-20-17(19)10-8-15(18)12-21-16-9-7-13-5-3-4-6-14(13)11-16/h7,9,11H,2-6,8,10,12H2,1H3
InChIKeyWTZSMNWVRVFAFR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.86
Rot. Bonds7

About ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate

ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate (PubChem CID 103484935) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
PubChem CID103484935
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Nameethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
SMILESCCOC(=O)CCC(=O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H22O4/c1-2-20-17(19)10-8-15(18)12-21-16-9-7-13-5-3-4-6-14(13)11-16/h7,9,11H,2-6,8,10,12H2,1H3
InChIKeyWTZSMNWVRVFAFR-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62038923
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
CID 103520063
ethyl 5-(3-acetylphenoxy)-4-oxopentanoate
CID 103484965
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680
ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
CID 51969368
ethyl 5-(3-fluoro-4-nitrophenoxy)-4-oxopentanoate
CID 103484937
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
The IUPAC name of ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate (CID 103484935) is ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate.
What is the SMILES notation for ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
The canonical SMILES for ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate is CCOC(=O)CCC(=O)COc1ccc2c(c1)CCCC2.
What is the InChIKey of ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
The InChIKey is WTZSMNWVRVFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-2-20-17(19)10-8-15(18)12-21-16-9-7-13-5-3-4-6-14(13)11-16/h7,9,11H,2-6,8,10,12H2,1H3.
What are the key properties of ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate has a molecular weight of 290.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate is sourced from PubChem (CID 103484935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).