methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate

C17H22O6 — CID 174384026

IUPACmethyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)C1=CC=CC1C(=O)CCCC(=O)OC
InChIInChI=1S/C17H22O6/c1-22-16(20)10-4-8-14(18)12-6-3-7-13(12)15(19)9-5-11-17(21)23-2/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyQSKDJQGZJFRPMM-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.92
Rot. Bonds10

About methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate

methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate (PubChem CID 174384026) has the molecular formula C17H22O6 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate
PubChem CID174384026
Molecular FormulaC17H22O6
Molecular Weight322.36 g/mol
Exact Mass322.14
IUPAC Namemethyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)C1=CC=CC1C(=O)CCCC(=O)OC
InChIInChI=1S/C17H22O6/c1-22-16(20)10-4-8-14(18)12-6-3-7-13(12)15(19)9-5-11-17(21)23-2/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyQSKDJQGZJFRPMM-UHFFFAOYSA-N
XLogP1.92
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate with MolForge

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Related Compounds

methyl 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-5-oxopentanoate
CID 147523607
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 5-(2-aminophenyl)-5-oxopentanoate
CID 14382097
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 4-(5-methylcyclohexa-1,3-dien-1-yl)oxybutanoate
CID 71219273
dimethyl 6,7-dioxododecanedioate
CID 71343651
methyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 146008143

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate (CID 174384026) is methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)C1=CC=CC1C(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate?
The InChIKey is QSKDJQGZJFRPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O6/c1-22-16(20)10-4-8-14(18)12-6-3-7-13(12)15(19)9-5-11-17(21)23-2/h3,6-7,12H,4-5,8-11H2,1-2H3.
What are the key properties of methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate?
methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate has a molecular weight of 322.36 g/mol, XLogP of 1.92, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate is sourced from PubChem (CID 174384026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).