bis(hydroxymethoxymethoxymethyl) propanedioate

C9H16O10 — CID 102356043

IUPACbis(hydroxymethoxymethoxymethyl) propanedioate
SMILESO=C(CC(=O)OCOCOCO)OCOCOCO
InChIInChI=1S/C9H16O10/c10-2-14-4-16-6-18-8(12)1-9(13)19-7-17-5-15-3-11/h10-11H,1-7H2
InChIKeyMGSKWTHCFWAHGI-UHFFFAOYSA-N
MW284.22 g/mol
LogP-1.74
Rot. Bonds12

About bis(hydroxymethoxymethoxymethyl) propanedioate

bis(hydroxymethoxymethoxymethyl) propanedioate (PubChem CID 102356043) has the molecular formula C9H16O10 and a molecular weight of 284.22 g/mol. Its IUPAC name is bis(hydroxymethoxymethoxymethyl) propanedioate.

Molecular Properties

Compound Namebis(hydroxymethoxymethoxymethyl) propanedioate
PubChem CID102356043
Molecular FormulaC9H16O10
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Namebis(hydroxymethoxymethoxymethyl) propanedioate
SMILESO=C(CC(=O)OCOCOCO)OCOCOCO
InChIInChI=1S/C9H16O10/c10-2-14-4-16-6-18-8(12)1-9(13)19-7-17-5-15-3-11/h10-11H,1-7H2
InChIKeyMGSKWTHCFWAHGI-UHFFFAOYSA-N
XLogP-1.74
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethoxymethoxymethyl acetate
CID 23591688
bis(bromomethyl) propanedioate
CID 159444620
bis(acetyloxymethyl) propanedioate
CID 59124845
3-O-(acetamidomethylcarbamoyloxymethyl) 1-O-(hydroxymethyl) propanedioate
CID 54556064
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;3-(hydroxymethoxy)-3-oxopropanoic acid;hydroxymethyl hydrogen carbonate
CID 158069750
diethyl propanedioate;ethane
CID 123991095
diethyl propanedioate;titanium
CID 174779178
bis(hydroxymethyl) hexanedioate
CID 22892542
bis(hydroxymethyl) pentanedioate
CID 56975769
2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
CID 59942580
3-[(2-carboxylatoacetyl)oxymethoxy]-3-oxopropanoate;methane
CID 159455163
potassium;diethyl propanedioate;sulfanide
CID 159289328

Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethoxymethoxymethyl) propanedioate?
The IUPAC name of bis(hydroxymethoxymethoxymethyl) propanedioate (CID 102356043) is bis(hydroxymethoxymethoxymethyl) propanedioate.
What is the SMILES notation for bis(hydroxymethoxymethoxymethyl) propanedioate?
The canonical SMILES for bis(hydroxymethoxymethoxymethyl) propanedioate is O=C(CC(=O)OCOCOCO)OCOCOCO.
What is the InChIKey of bis(hydroxymethoxymethoxymethyl) propanedioate?
The InChIKey is MGSKWTHCFWAHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O10/c10-2-14-4-16-6-18-8(12)1-9(13)19-7-17-5-15-3-11/h10-11H,1-7H2.
What are the key properties of bis(hydroxymethoxymethoxymethyl) propanedioate?
bis(hydroxymethoxymethoxymethyl) propanedioate has a molecular weight of 284.22 g/mol, XLogP of -1.74, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethoxymethoxymethyl) propanedioate is sourced from PubChem (CID 102356043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).