methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole

C9H18N2O3 — CID 175286069

IUPACmethyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole
SMILESCC1=C(C)N(C)CN1C.COC(=O)O
InChIInChI=1S/C7H14N2.C2H4O3/c1-6-7(2)9(4)5-8(6)3;1-5-2(3)4/h5H2,1-4H3;1H3,(H,3,4)
InChIKeyPXFYWWHSJCRJES-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.38
Rot. Bonds

About methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole

methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole (PubChem CID 175286069) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole.

Molecular Properties

Compound Namemethyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole
PubChem CID175286069
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole
SMILESCC1=C(C)N(C)CN1C.COC(=O)O
InChIInChI=1S/C7H14N2.C2H4O3/c1-6-7(2)9(4)5-8(6)3;1-5-2(3)4/h5H2,1-4H3;1H3,(H,3,4)
InChIKeyPXFYWWHSJCRJES-UHFFFAOYSA-N
XLogP1.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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dimethylsilane;methyl hydrogen carbonate
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methyl hydrogen carbonate;sulfuric acid
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1-butyl-2-methylimidazole;methyl hydrogen carbonate
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(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate
CID 70443250
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
CID 158096678
sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate
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Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole?
The IUPAC name of methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole (CID 175286069) is methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole.
What is the SMILES notation for methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole?
The canonical SMILES for methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole is CC1=C(C)N(C)CN1C.COC(=O)O.
What is the InChIKey of methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole?
The InChIKey is PXFYWWHSJCRJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H4O3/c1-6-7(2)9(4)5-8(6)3;1-5-2(3)4/h5H2,1-4H3;1H3,(H,3,4).
What are the key properties of methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole?
methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole has a molecular weight of 202.25 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole is sourced from PubChem (CID 175286069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).