bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate

C15H32N2O5 — CID 67154984

IUPACbis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate
SMILESCOC[N+]1(C)CCCC1.COC[N+]1(C)CCCC1.O=C([O-])[O-]
InChIInChI=1S/2C7H16NO.CH2O3/c2*1-8(7-9-2)5-3-4-6-8;2-1(3)4/h2*3-7H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyJUCDUVAPZDBILR-UHFFFAOYSA-L
MW320.43 g/mol
LogP-0.79
Rot. Bonds4

About bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate

bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate (PubChem CID 67154984) has the molecular formula C15H32N2O5 and a molecular weight of 320.43 g/mol. Its IUPAC name is bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate.

Molecular Properties

Compound Namebis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate
PubChem CID67154984
Molecular FormulaC15H32N2O5
Molecular Weight320.43 g/mol
Exact Mass320.23
IUPAC Namebis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate
SMILESCOC[N+]1(C)CCCC1.COC[N+]1(C)CCCC1.O=C([O-])[O-]
InChIInChI=1S/2C7H16NO.CH2O3/c2*1-8(7-9-2)5-3-4-6-8;2-1(3)4/h2*3-7H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyJUCDUVAPZDBILR-UHFFFAOYSA-L
XLogP-0.79
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1-methylpiperidin-1-ium-1-yl)methyl carbonate
CID 166871618
2-methoxyacetate;1-methyl-1-prop-2-enylpyrrolidin-1-ium
CID 118645014
1-(methoxymethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 141287215
bis(3-(2-methoxyethoxy)propanoate);bis(1-(2-methoxyethyl)-1-methylpiperidin-1-ium)
CID 161399909
potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate
CID 171431775
methane;methyl 4-(1-methylpyrrolidin-1-ium-1-yl)-3-oxobutanoate
CID 158928066
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 122553764
1-heptyl-1-methylpyrrolidin-1-ium acetate
CID 171569618
(2S)-2,6-diaminohexanoate;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
CID 141497073
ethyl (1-methylpiperidin-1-ium-1-yl)methyl hydrogen phosphate
CID 134215317
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578

Frequently Asked Questions

What is the IUPAC name of bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate?
The IUPAC name of bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate (CID 67154984) is bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate.
What is the SMILES notation for bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate?
The canonical SMILES for bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate is COC[N+]1(C)CCCC1.COC[N+]1(C)CCCC1.O=C([O-])[O-].
What is the InChIKey of bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate?
The InChIKey is JUCDUVAPZDBILR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H16NO.CH2O3/c2*1-8(7-9-2)5-3-4-6-8;2-1(3)4/h2*3-7H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate?
bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate has a molecular weight of 320.43 g/mol, XLogP of -0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(methoxymethyl)-1-methylpyrrolidin-1-ium);carbonate is sourced from PubChem (CID 67154984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).