1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid

C5H9ClO10 — CID 87526850

IUPAC1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid
SMILESCC(COC(=O)O)OC(=O)O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C5H8O6.ClHO4/c1-3(11-5(8)9)2-10-4(6)7;2-1(3,4)5/h3H,2H2,1H3,(H,6,7)(H,8,9);(H,2,3,4,5)
InChIKeyKXUDGEZJNRXSQT-UHFFFAOYSA-N
MW264.57 g/mol
LogP-3.36
Rot. Bonds3

About 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid

1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid (PubChem CID 87526850) has the molecular formula C5H9ClO10 and a molecular weight of 264.57 g/mol. Its IUPAC name is 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid.

Molecular Properties

Compound Name1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid
PubChem CID87526850
Molecular FormulaC5H9ClO10
Molecular Weight264.57 g/mol
Exact Mass263.99
IUPAC Name1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid
SMILESCC(COC(=O)O)OC(=O)O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C5H8O6.ClHO4/c1-3(11-5(8)9)2-10-4(6)7;2-1(3,4)5/h3H,2H2,1H3,(H,6,7)(H,8,9);(H,2,3,4,5)
InChIKeyKXUDGEZJNRXSQT-UHFFFAOYSA-N
XLogP-3.36
TPSA182.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.57
LogP ≤ 5-3.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-carboxyoxypropan-2-yl hydrogen carbonate;dimethyl carbonate
CID 87918365
2-carboxyoxyethyl hydrogen carbonate;1-carboxyoxypropan-2-yl hydrogen carbonate;1,3-dioxol-2-one
CID 68987716
4-carboxyoxypentan-2-yl hydrogen carbonate
CID 87735224
2-(2-hydroxypropoxy)propyl hydrogen carbonate
CID 87304467
(5-carboxyoxy-4-methylpentan-2-yl) carbonate
CID 19033546
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxypropoxy]-4-oxobut-2-enoic acid
CID 6446969
(1-carboxyoxy-3-methoxypropan-2-yl) carbonate
CID 19927087
acetylene;butan-2-yl hydrogen carbonate
CID 87851558
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
ethane-1,2-diol;2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
CID 122574252
(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
CID 89414576
2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
CID 122574253

Frequently Asked Questions

What is the IUPAC name of 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid?
The IUPAC name of 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid (CID 87526850) is 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid.
What is the SMILES notation for 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid?
The canonical SMILES for 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid is CC(COC(=O)O)OC(=O)O.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid?
The InChIKey is KXUDGEZJNRXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O6.ClHO4/c1-3(11-5(8)9)2-10-4(6)7;2-1(3,4)5/h3H,2H2,1H3,(H,6,7)(H,8,9);(H,2,3,4,5).
What are the key properties of 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid?
1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid has a molecular weight of 264.57 g/mol, XLogP of -3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid is sourced from PubChem (CID 87526850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).