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

C25H52O9 — CID 87899211

IUPAC2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESCOC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C25H52O9/c1-18(10-26)28-12-20(3)30-14-22(5)32-16-24(7)34-17-25(8)33-15-23(6)31-13-21(4)29-11-19(2)27-9/h18-26H,10-17H2,1-9H3
InChIKeySTWKVXLSQFIMLC-UHFFFAOYSA-N
MW496.68 g/mol
LogP2.85
Rot. Bonds23

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

2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 87899211) has the molecular formula C25H52O9 and a molecular weight of 496.68 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
PubChem CID87899211
Molecular FormulaC25H52O9
Molecular Weight496.68 g/mol
Exact Mass496.36
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESCOC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C25H52O9/c1-18(10-26)28-12-20(3)30-14-22(5)32-16-24(7)34-17-25(8)33-15-23(6)31-13-21(4)29-11-19(2)27-9/h18-26H,10-17H2,1-9H3
InChIKeySTWKVXLSQFIMLC-UHFFFAOYSA-N
XLogP2.85
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol (CID 87899211) is 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is STWKVXLSQFIMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O9/c1-18(10-26)28-12-20(3)30-14-22(5)32-16-24(7)34-17-25(8)33-15-23(6)31-13-21(4)29-11-19(2)27-9/h18-26H,10-17H2,1-9H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol?
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 496.68 g/mol, XLogP of 2.85, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 87899211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).