1-(1-hexoxypropan-2-yloxy)propan-2-ol

C12H26O3 — CID 22182175

IUPAC1-(1-hexoxypropan-2-yloxy)propan-2-ol
SMILESCCCCCCOCC(C)OCC(C)O
InChIInChI=1S/C12H26O3/c1-4-5-6-7-8-14-10-12(3)15-9-11(2)13/h11-13H,4-10H2,1-3H3
InChIKeyXYKNTXVAUYWFFE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.37
Rot. Bonds10

About 1-(1-hexoxypropan-2-yloxy)propan-2-ol

1-(1-hexoxypropan-2-yloxy)propan-2-ol (PubChem CID 22182175) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1-hexoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-hexoxypropan-2-yloxy)propan-2-ol
PubChem CID22182175
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-(1-hexoxypropan-2-yloxy)propan-2-ol
SMILESCCCCCCOCC(C)OCC(C)O
InChIInChI=1S/C12H26O3/c1-4-5-6-7-8-14-10-12(3)15-9-11(2)13/h11-13H,4-10H2,1-3H3
InChIKeyXYKNTXVAUYWFFE-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
CID 163521633
1-(2-hexoxypropoxy)hexane
CID 71353992
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
2-methyl-1-(1-octoxypropan-2-yloxy)decane
CID 23399371
1-(2-propoxypropoxy)pentane
CID 22002926

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-hexoxypropan-2-yloxy)propan-2-ol (CID 22182175) is 1-(1-hexoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-hexoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-hexoxypropan-2-yloxy)propan-2-ol is CCCCCCOCC(C)OCC(C)O.
What is the InChIKey of 1-(1-hexoxypropan-2-yloxy)propan-2-ol?
The InChIKey is XYKNTXVAUYWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-4-5-6-7-8-14-10-12(3)15-9-11(2)13/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(1-hexoxypropan-2-yloxy)propan-2-ol?
1-(1-hexoxypropan-2-yloxy)propan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 22182175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).