1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol

C15H32O6 — CID 163521633

IUPAC1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
SMILESCC(O)COCCOCCCCOCC(C)OCC(C)O
InChIInChI=1S/C15H32O6/c1-13(16)10-20-9-8-18-6-4-5-7-19-12-15(3)21-11-14(2)17/h13-17H,4-12H2,1-3H3
InChIKeyGIGTUNRPYXRWRW-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.98
Rot. Bonds15

About 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol

1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol (PubChem CID 163521633) has the molecular formula C15H32O6 and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
PubChem CID163521633
Molecular FormulaC15H32O6
Molecular Weight308.41 g/mol
Exact Mass308.22
IUPAC Name1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
SMILESCC(O)COCCOCCCCOCC(C)OCC(C)O
InChIInChI=1S/C15H32O6/c1-13(16)10-20-9-8-18-6-4-5-7-19-12-15(3)21-11-14(2)17/h13-17H,4-12H2,1-3H3
InChIKeyGIGTUNRPYXRWRW-UHFFFAOYSA-N
XLogP0.98
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 22918050
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 22051748
(2S)-1-octoxypropan-2-ol
CID 55250295
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
1-tridecoxypropan-2-ol
CID 19798268
1-[1-(2-docosoxyethoxy)pentacosan-2-yloxy]propan-2-ol
CID 169296789
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
CID 87650391

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol (CID 163521633) is 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol is CC(O)COCCOCCCCOCC(C)OCC(C)O.
What is the InChIKey of 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol?
The InChIKey is GIGTUNRPYXRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-13(16)10-20-9-8-18-6-4-5-7-19-12-15(3)21-11-14(2)17/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol?
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol has a molecular weight of 308.41 g/mol, XLogP of 0.98, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 163521633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).