2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol

C17H36O4 — CID 152502599

IUPAC2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol
SMILESCCCC(C)C(C)(C)OC(C)COC(C)COC(C)CO
InChIInChI=1S/C17H36O4/c1-8-9-13(2)17(6,7)21-16(5)12-20-15(4)11-19-14(3)10-18/h13-16,18H,8-12H2,1-7H3
InChIKeyYDUDXYZVSNGBSP-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.41
Rot. Bonds12

About 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol

2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol (PubChem CID 152502599) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol
PubChem CID152502599
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol
SMILESCCCC(C)C(C)(C)OC(C)COC(C)COC(C)CO
InChIInChI=1S/C17H36O4/c1-8-9-13(2)17(6,7)21-16(5)12-20-15(4)11-19-14(3)10-18/h13-16,18H,8-12H2,1-7H3
InChIKeyYDUDXYZVSNGBSP-UHFFFAOYSA-N
XLogP3.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol (CID 152502599) is 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol is CCCC(C)C(C)(C)OC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol?
The InChIKey is YDUDXYZVSNGBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-8-9-13(2)17(6,7)21-16(5)12-20-15(4)11-19-14(3)10-18/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol?
2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol has a molecular weight of 304.47 g/mol, XLogP of 3.41, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 152502599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).