bis(methoxycarbonyloxymethyl) nonanedioate

C15H24O10 — CID 90912615

IUPACbis(methoxycarbonyloxymethyl) nonanedioate
SMILESCOC(=O)OCOC(=O)CCCCCCCC(=O)OCOC(=O)OC
InChIInChI=1S/C15H24O10/c1-20-14(18)24-10-22-12(16)8-6-4-3-5-7-9-13(17)23-11-25-15(19)21-2/h3-11H2,1-2H3
InChIKeyCXUOBEYSLRLTLM-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.28
Rot. Bonds12

About bis(methoxycarbonyloxymethyl) nonanedioate

bis(methoxycarbonyloxymethyl) nonanedioate (PubChem CID 90912615) has the molecular formula C15H24O10 and a molecular weight of 364.35 g/mol. Its IUPAC name is bis(methoxycarbonyloxymethyl) nonanedioate.

Molecular Properties

Compound Namebis(methoxycarbonyloxymethyl) nonanedioate
PubChem CID90912615
Molecular FormulaC15H24O10
Molecular Weight364.35 g/mol
Exact Mass364.14
IUPAC Namebis(methoxycarbonyloxymethyl) nonanedioate
SMILESCOC(=O)OCOC(=O)CCCCCCCC(=O)OCOC(=O)OC
InChIInChI=1S/C15H24O10/c1-20-14(18)24-10-22-12(16)8-6-4-3-5-7-9-13(17)23-11-25-15(19)21-2/h3-11H2,1-2H3
InChIKeyCXUOBEYSLRLTLM-UHFFFAOYSA-N
XLogP2.28
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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(propanoyloxymethyl) heptanedioate
CID 90973893
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
bis(2-oxopropanoyloxymethyl) undecanedioate
CID 141068875
bis(2,2-dimethylpropanoyloxymethyl) undecanedioate
CID 91593861
6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate
CID 170088315
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
diethyl icosanedioate
CID 5058538
methyl 10-aminodecanoate
CID 10655700

Frequently Asked Questions

What is the IUPAC name of bis(methoxycarbonyloxymethyl) nonanedioate?
The IUPAC name of bis(methoxycarbonyloxymethyl) nonanedioate (CID 90912615) is bis(methoxycarbonyloxymethyl) nonanedioate.
What is the SMILES notation for bis(methoxycarbonyloxymethyl) nonanedioate?
The canonical SMILES for bis(methoxycarbonyloxymethyl) nonanedioate is COC(=O)OCOC(=O)CCCCCCCC(=O)OCOC(=O)OC.
What is the InChIKey of bis(methoxycarbonyloxymethyl) nonanedioate?
The InChIKey is CXUOBEYSLRLTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O10/c1-20-14(18)24-10-22-12(16)8-6-4-3-5-7-9-13(17)23-11-25-15(19)21-2/h3-11H2,1-2H3.
What are the key properties of bis(methoxycarbonyloxymethyl) nonanedioate?
bis(methoxycarbonyloxymethyl) nonanedioate has a molecular weight of 364.35 g/mol, XLogP of 2.28, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methoxycarbonyloxymethyl) nonanedioate is sourced from PubChem (CID 90912615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).