2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol

C14H30O3 — CID 142712388

IUPAC2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol
SMILESCC(CO)OCC(C)OC(C)(C)C(C)C(C)C
InChIInChI=1S/C14H30O3/c1-10(2)13(5)14(6,7)17-12(4)9-16-11(3)8-15/h10-13,15H,8-9H2,1-7H3
InChIKeyUHTHCYZFIRKNNR-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.86
Rot. Bonds8

About 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol

2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol (PubChem CID 142712388) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol
PubChem CID142712388
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol
SMILESCC(CO)OCC(C)OC(C)(C)C(C)C(C)C
InChIInChI=1S/C14H30O3/c1-10(2)13(5)14(6,7)17-12(4)9-16-11(3)8-15/h10-13,15H,8-9H2,1-7H3
InChIKeyUHTHCYZFIRKNNR-UHFFFAOYSA-N
XLogP2.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol (CID 142712388) is 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol is CC(CO)OCC(C)OC(C)(C)C(C)C(C)C.
What is the InChIKey of 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol?
The InChIKey is UHTHCYZFIRKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-10(2)13(5)14(6,7)17-12(4)9-16-11(3)8-15/h10-13,15H,8-9H2,1-7H3.
What are the key properties of 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol?
2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol is sourced from PubChem (CID 142712388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).