methyl hydrogen carbonate;propan-2-one

C5H10O4 — CID 157174234

IUPACmethyl hydrogen carbonate;propan-2-one
SMILESCC(C)=O.COC(=O)O
InChIInChI=1S/C3H6O.C2H4O3/c1-3(2)4;1-5-2(3)4/h1-2H3;1H3,(H,3,4)
InChIKeyANUZEYXNCHKXEX-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.91
Rot. Bonds

About methyl hydrogen carbonate;propan-2-one

methyl hydrogen carbonate;propan-2-one (PubChem CID 157174234) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is methyl hydrogen carbonate;propan-2-one.

Molecular Properties

Compound Namemethyl hydrogen carbonate;propan-2-one
PubChem CID157174234
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Namemethyl hydrogen carbonate;propan-2-one
SMILESCC(C)=O.COC(=O)O
InChIInChI=1S/C3H6O.C2H4O3/c1-3(2)4;1-5-2(3)4/h1-2H3;1H3,(H,3,4)
InChIKeyANUZEYXNCHKXEX-UHFFFAOYSA-N
XLogP0.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 160799101
sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate
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methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
CID 158096678
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CID 175502908
methane;methyl acetate
CID 162094565
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CID 169424774

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;propan-2-one?
The IUPAC name of methyl hydrogen carbonate;propan-2-one (CID 157174234) is methyl hydrogen carbonate;propan-2-one.
What is the SMILES notation for methyl hydrogen carbonate;propan-2-one?
The canonical SMILES for methyl hydrogen carbonate;propan-2-one is CC(C)=O.COC(=O)O.
What is the InChIKey of methyl hydrogen carbonate;propan-2-one?
The InChIKey is ANUZEYXNCHKXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O3/c1-3(2)4;1-5-2(3)4/h1-2H3;1H3,(H,3,4).
What are the key properties of methyl hydrogen carbonate;propan-2-one?
methyl hydrogen carbonate;propan-2-one has a molecular weight of 134.13 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;propan-2-one is sourced from PubChem (CID 157174234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).