1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol

C10H26O7 — CID 160542041

IUPAC1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol
SMILESC.CC(=O)CO.CC(O)CO.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H8O2.C3H6O2.CH4/c4-1-3(6)2-5;2*1-3(5)2-4;/h3-6H,1-2H2;3-5H,2H2,1H3;4H,2H2,1H3;1H4
InChIKeyQWXIRMNNYUXRIB-UHFFFAOYSA-N
MW258.31 g/mol
LogP-2.10
Rot. Bonds4

About 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol

1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol (PubChem CID 160542041) has the molecular formula C10H26O7 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol.

Molecular Properties

Compound Name1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol
PubChem CID160542041
Molecular FormulaC10H26O7
Molecular Weight258.31 g/mol
Exact Mass258.17
IUPAC Name1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol
SMILESC.CC(=O)CO.CC(O)CO.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H8O2.C3H6O2.CH4/c4-1-3(6)2-5;2*1-3(5)2-4;/h3-6H,1-2H2;3-5H,2H2,1H3;4H,2H2,1H3;1H4
InChIKeyQWXIRMNNYUXRIB-UHFFFAOYSA-N
XLogP-2.10
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.31
LogP ≤ 5-2.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol?
The IUPAC name of 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol (CID 160542041) is 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol.
What is the SMILES notation for 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol?
The canonical SMILES for 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol is C.CC(=O)CO.CC(O)CO.OCC(O)CO.
What is the InChIKey of 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol?
The InChIKey is QWXIRMNNYUXRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H8O2.C3H6O2.CH4/c4-1-3(6)2-5;2*1-3(5)2-4;/h3-6H,1-2H2;3-5H,2H2,1H3;4H,2H2,1H3;1H4.
What are the key properties of 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol?
1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol has a molecular weight of 258.31 g/mol, XLogP of -2.10, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol is sourced from PubChem (CID 160542041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).