methyl 7,7-dimethoxy-6-oxooctanoate

C11H20O5 — CID 156587642

IUPACmethyl 7,7-dimethoxy-6-oxooctanoate
SMILESCOC(=O)CCCCC(=O)C(C)(OC)OC
InChIInChI=1S/C11H20O5/c1-11(15-3,16-4)9(12)7-5-6-8-10(13)14-2/h5-8H2,1-4H3
InChIKeyGDHMKAWIVUJFLR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds8

About methyl 7,7-dimethoxy-6-oxooctanoate

methyl 7,7-dimethoxy-6-oxooctanoate (PubChem CID 156587642) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 7,7-dimethoxy-6-oxooctanoate.

Molecular Properties

Compound Namemethyl 7,7-dimethoxy-6-oxooctanoate
PubChem CID156587642
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namemethyl 7,7-dimethoxy-6-oxooctanoate
SMILESCOC(=O)CCCCC(=O)C(C)(OC)OC
InChIInChI=1S/C11H20O5/c1-11(15-3,16-4)9(12)7-5-6-8-10(13)14-2/h5-8H2,1-4H3
InChIKeyGDHMKAWIVUJFLR-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 6,6-dimethylheptanoate
CID 20777196
dimethyl 6,7-dioxododecanedioate
CID 71343651
dimethyl pentanedioate;hydrochloride
CID 175168861
CID 162111833
CID 162111833
dimethyl 9-oxooctadecanedioate
CID 544455
methyl 20-bromoicosanoate
CID 155895697

Frequently Asked Questions

What is the IUPAC name of methyl 7,7-dimethoxy-6-oxooctanoate?
The IUPAC name of methyl 7,7-dimethoxy-6-oxooctanoate (CID 156587642) is methyl 7,7-dimethoxy-6-oxooctanoate.
What is the SMILES notation for methyl 7,7-dimethoxy-6-oxooctanoate?
The canonical SMILES for methyl 7,7-dimethoxy-6-oxooctanoate is COC(=O)CCCCC(=O)C(C)(OC)OC.
What is the InChIKey of methyl 7,7-dimethoxy-6-oxooctanoate?
The InChIKey is GDHMKAWIVUJFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-11(15-3,16-4)9(12)7-5-6-8-10(13)14-2/h5-8H2,1-4H3.
What are the key properties of methyl 7,7-dimethoxy-6-oxooctanoate?
methyl 7,7-dimethoxy-6-oxooctanoate has a molecular weight of 232.28 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,7-dimethoxy-6-oxooctanoate is sourced from PubChem (CID 156587642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).