1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol

C21H44O10 — CID 20813417

IUPAC1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol
SMILESCOC(C)COC(C(COCC(C)O)OCC(C)O)C(COCC(C)O)OCC(C)O
InChIInChI=1S/C21H44O10/c1-14(22)7-27-12-19(29-9-16(3)24)21(31-11-18(5)26-6)20(30-10-17(4)25)13-28-8-15(2)23/h14-25H,7-13H2,1-6H3
InChIKeyKBQPLJWAPRPDIA-UHFFFAOYSA-N
MW456.57 g/mol
LogP-0.27
Rot. Bonds20

About 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol

1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol (PubChem CID 20813417) has the molecular formula C21H44O10 and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol
PubChem CID20813417
Molecular FormulaC21H44O10
Molecular Weight456.57 g/mol
Exact Mass456.29
IUPAC Name1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol
SMILESCOC(C)COC(C(COCC(C)O)OCC(C)O)C(COCC(C)O)OCC(C)O
InChIInChI=1S/C21H44O10/c1-14(22)7-27-12-19(29-9-16(3)24)21(31-11-18(5)26-6)20(30-10-17(4)25)13-28-8-15(2)23/h14-25H,7-13H2,1-6H3
InChIKeyKBQPLJWAPRPDIA-UHFFFAOYSA-N
XLogP-0.27
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol with MolForge

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Related Compounds

1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol
CID 22947723
1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
CID 122545429
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
2-(2-methoxypropoxy)propan-1-ol;propane-1,2-diol
CID 87149453
1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane
CID 159503599
[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium
CID 21106306
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
1-ethoxypropan-2-ol;3-methoxybutan-1-ol
CID 161147161
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol?
The IUPAC name of 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol (CID 20813417) is 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol.
What is the SMILES notation for 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol?
The canonical SMILES for 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol is COC(C)COC(C(COCC(C)O)OCC(C)O)C(COCC(C)O)OCC(C)O.
What is the InChIKey of 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol?
The InChIKey is KBQPLJWAPRPDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O10/c1-14(22)7-27-12-19(29-9-16(3)24)21(31-11-18(5)26-6)20(30-10-17(4)25)13-28-8-15(2)23/h14-25H,7-13H2,1-6H3.
What are the key properties of 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol?
1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol has a molecular weight of 456.57 g/mol, XLogP of -0.27, 20 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol is sourced from PubChem (CID 20813417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).