2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol

C41H84O16 — CID 156600034

IUPAC2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)COCC(COCC(C)OCC(C)OCC(C)O)(COC(C)COC(C)COC(C)CO)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C41H84O16/c1-29(44)15-48-35(7)21-52-33(5)17-46-25-41(26-47-18-34(6)53-22-36(8)49-16-30(2)45,27-56-39(11)23-54-37(9)19-50-31(3)13-42)28-57-40(12)24-55-38(10)20-51-32(4)14-43/h29-40,42-45H,13-28H2,1-12H3
InChIKeyLTXBJMIKOVEDPR-UHFFFAOYSA-N
MW833.11 g/mol
LogP2.80
Rot. Bonds40

About 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol

2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 156600034) has the molecular formula C41H84O16 and a molecular weight of 833.11 g/mol. Its IUPAC name is 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol
PubChem CID156600034
Molecular FormulaC41H84O16
Molecular Weight833.11 g/mol
Exact Mass832.58
IUPAC Name2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)COCC(COCC(C)OCC(C)OCC(C)O)(COC(C)COC(C)COC(C)CO)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C41H84O16/c1-29(44)15-48-35(7)21-52-33(5)17-46-25-41(26-47-18-34(6)53-22-36(8)49-16-30(2)45,27-56-39(11)23-54-37(9)19-50-31(3)13-42)28-57-40(12)24-55-38(10)20-51-32(4)14-43/h29-40,42-45H,13-28H2,1-12H3
InChIKeyLTXBJMIKOVEDPR-UHFFFAOYSA-N
XLogP2.80
TPSA191.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.11
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol (CID 156600034) is 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol is CC(O)COC(C)COC(C)COCC(COCC(C)OCC(C)OCC(C)O)(COC(C)COC(C)COC(C)CO)COC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is LTXBJMIKOVEDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H84O16/c1-29(44)15-48-35(7)21-52-33(5)17-46-25-41(26-47-18-34(6)53-22-36(8)49-16-30(2)45,27-56-39(11)23-54-37(9)19-50-31(3)13-42)28-57-40(12)24-55-38(10)20-51-32(4)14-43/h29-40,42-45H,13-28H2,1-12H3.
What are the key properties of 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol?
2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 833.11 g/mol, XLogP of 2.80, 40 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxymethyl]-3-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 156600034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).