1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol

C13H28O6 — CID 22947723

IUPAC1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol
SMILESCOC(C)COC(COCC(C)O)COCC(C)O
InChIInChI=1S/C13H28O6/c1-10(14)5-17-8-13(9-18-6-11(2)15)19-7-12(3)16-4/h10-15H,5-9H2,1-4H3
InChIKeyUXADPWXMQHXSNU-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.20
Rot. Bonds12

About 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol

1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol (PubChem CID 22947723) has the molecular formula C13H28O6 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol
PubChem CID22947723
Molecular FormulaC13H28O6
Molecular Weight280.36 g/mol
Exact Mass280.19
IUPAC Name1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol
SMILESCOC(C)COC(COCC(C)O)COCC(C)O
InChIInChI=1S/C13H28O6/c1-10(14)5-17-8-13(9-18-6-11(2)15)19-7-12(3)16-4/h10-15H,5-9H2,1-4H3
InChIKeyUXADPWXMQHXSNU-UHFFFAOYSA-N
XLogP0.20
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol?
The IUPAC name of 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol (CID 22947723) is 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol.
What is the SMILES notation for 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol?
The canonical SMILES for 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol is COC(C)COC(COCC(C)O)COCC(C)O.
What is the InChIKey of 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol?
The InChIKey is UXADPWXMQHXSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O6/c1-10(14)5-17-8-13(9-18-6-11(2)15)19-7-12(3)16-4/h10-15H,5-9H2,1-4H3.
What are the key properties of 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol?
1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol has a molecular weight of 280.36 g/mol, XLogP of 0.20, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol is sourced from PubChem (CID 22947723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).