1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate

C11H34O8 — CID 160712478

IUPAC1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate
SMILESC.C.C.C.CC(CO)OC(=O)O.O.OCC(O)CO
InChIInChI=1S/C4H8O4.C3H8O3.4CH4.H2O/c1-3(2-5)8-4(6)7;4-1-3(6)2-5;;;;;/h3,5H,2H2,1H3,(H,6,7);3-6H,1-2H2;4*1H4;1H2
InChIKeyDQLPEEJEJKKJBB-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.11
Rot. Bonds4

About 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate

1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate (PubChem CID 160712478) has the molecular formula C11H34O8 and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate
PubChem CID160712478
Molecular FormulaC11H34O8
Molecular Weight294.38 g/mol
Exact Mass294.23
IUPAC Name1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate
SMILESC.C.C.C.CC(CO)OC(=O)O.O.OCC(O)CO
InChIInChI=1S/C4H8O4.C3H8O3.4CH4.H2O/c1-3(2-5)8-4(6)7;4-1-3(6)2-5;;;;;/h3,5H,2H2,1H3,(H,6,7);3-6H,1-2H2;4*1H4;1H2
InChIKeyDQLPEEJEJKKJBB-UHFFFAOYSA-N
XLogP0.11
TPSA158.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
4-carboxyoxypentan-2-yl hydrogen carbonate
CID 87735224
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 157221053
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
1-hydroxypropan-2-yl 2-bromo-2-hydroxyacetate
CID 3023842
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
acetylene;butan-2-yl hydrogen carbonate
CID 87851558
1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol
CID 160542041
propane-1,2,3-triol;urea;hydrate
CID 174420698
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate?
The IUPAC name of 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate (CID 160712478) is 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate.
What is the SMILES notation for 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate?
The canonical SMILES for 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate is C.C.C.C.CC(CO)OC(=O)O.O.OCC(O)CO.
What is the InChIKey of 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate?
The InChIKey is DQLPEEJEJKKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4.C3H8O3.4CH4.H2O/c1-3(2-5)8-4(6)7;4-1-3(6)2-5;;;;;/h3,5H,2H2,1H3,(H,6,7);3-6H,1-2H2;4*1H4;1H2.
What are the key properties of 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate?
1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate has a molecular weight of 294.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate is sourced from PubChem (CID 160712478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).