disodium;4-(methoxymethoxy)phthalate

C10H8Na2O6 — CID 131725674

IUPACdisodium;4-(methoxymethoxy)phthalate
SMILESCOCOc1ccc(C(=O)[O-])c(C(=O)[O-])c1.[Na+].[Na+]
InChIInChI=1S/C10H10O6.2Na/c1-15-5-16-6-2-3-7(9(11)12)8(4-6)10(13)14;;/h2-4H,5H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyOYAZVVYOACSNJS-UHFFFAOYSA-L
MW270.15 g/mol
LogP-7.60
Rot. Bonds5

About disodium;4-(methoxymethoxy)phthalate

disodium;4-(methoxymethoxy)phthalate (PubChem CID 131725674) has the molecular formula C10H8Na2O6 and a molecular weight of 270.15 g/mol. Its IUPAC name is disodium;4-(methoxymethoxy)phthalate.

Molecular Properties

Compound Namedisodium;4-(methoxymethoxy)phthalate
PubChem CID131725674
Molecular FormulaC10H8Na2O6
Molecular Weight270.15 g/mol
Exact Mass270.01
IUPAC Namedisodium;4-(methoxymethoxy)phthalate
SMILESCOCOc1ccc(C(=O)[O-])c(C(=O)[O-])c1.[Na+].[Na+]
InChIInChI=1S/C10H10O6.2Na/c1-15-5-16-6-2-3-7(9(11)12)8(4-6)10(13)14;;/h2-4H,5H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyOYAZVVYOACSNJS-UHFFFAOYSA-L
XLogP-7.60
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 5-7.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
2,4-diethoxybenzoate
CID 6951194
1,4-bis(methoxymethoxy)benzene
CID 542643
[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide
CID 14327199
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
CID 163381454
2-ethyl-4-methoxybenzoate
CID 23362607
1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one
CID 21436888
4-butoxy-2-fluorobenzoate
CID 7015592
2,4-dimethoxybenzoate
CID 6947027
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
2-(carboxylatomethyl)-5-methoxybenzoate
CID 2305422
2-[1-(diethylamino)ethyl]-4-ethoxybenzoate
CID 23616381

Frequently Asked Questions

What is the IUPAC name of disodium;4-(methoxymethoxy)phthalate?
The IUPAC name of disodium;4-(methoxymethoxy)phthalate (CID 131725674) is disodium;4-(methoxymethoxy)phthalate.
What is the SMILES notation for disodium;4-(methoxymethoxy)phthalate?
The canonical SMILES for disodium;4-(methoxymethoxy)phthalate is COCOc1ccc(C(=O)[O-])c(C(=O)[O-])c1.[Na+].[Na+].
What is the InChIKey of disodium;4-(methoxymethoxy)phthalate?
The InChIKey is OYAZVVYOACSNJS-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H10O6.2Na/c1-15-5-16-6-2-3-7(9(11)12)8(4-6)10(13)14;;/h2-4H,5H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;4-(methoxymethoxy)phthalate?
disodium;4-(methoxymethoxy)phthalate has a molecular weight of 270.15 g/mol, XLogP of -7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-(methoxymethoxy)phthalate is sourced from PubChem (CID 131725674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).