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

C15H32O6 — CID 122545429

IUPAC1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
SMILESCOC(C)COCC(C)OCCOC(C)COCC(C)O
InChIInChI=1S/C15H32O6/c1-12(16)8-18-10-14(3)20-6-7-21-15(4)11-19-9-13(2)17-5/h12-16H,6-11H2,1-5H3
InChIKeyTWPSRJAUTRHHGD-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.25
Rot. Bonds14

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

1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol (PubChem CID 122545429) has the molecular formula C15H32O6 and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
PubChem CID122545429
Molecular FormulaC15H32O6
Molecular Weight308.41 g/mol
Exact Mass308.22
IUPAC Name1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
SMILESCOC(C)COCC(C)OCCOC(C)COCC(C)O
InChIInChI=1S/C15H32O6/c1-12(16)8-18-10-14(3)20-6-7-21-15(4)11-19-9-13(2)17-5/h12-16H,6-11H2,1-5H3
InChIKeyTWPSRJAUTRHHGD-UHFFFAOYSA-N
XLogP1.25
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol?
The IUPAC name of 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol (CID 122545429) is 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol?
The canonical SMILES for 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol is COC(C)COCC(C)OCCOC(C)COCC(C)O.
What is the InChIKey of 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol?
The InChIKey is TWPSRJAUTRHHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-12(16)8-18-10-14(3)20-6-7-21-15(4)11-19-9-13(2)17-5/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol?
1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol has a molecular weight of 308.41 g/mol, XLogP of 1.25, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol is sourced from PubChem (CID 122545429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).