1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol

C17H38O6 — CID 88546913

IUPAC1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCCCOCC(C)OCC(C)O.COCC(C)OCC(C)O
InChIInChI=1S/C10H22O3.C7H16O3/c1-4-5-6-12-8-10(3)13-7-9(2)11;1-6(8)4-10-7(2)5-9-3/h9-11H,4-8H2,1-3H3;6-8H,4-5H2,1-3H3
InChIKeyDBWIKMIJHOOSNB-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.01
Rot. Bonds13

About 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol

1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 88546913) has the molecular formula C17H38O6 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID88546913
Molecular FormulaC17H38O6
Molecular Weight338.49 g/mol
Exact Mass338.27
IUPAC Name1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCCCOCC(C)OCC(C)O.COCC(C)OCC(C)O
InChIInChI=1S/C10H22O3.C7H16O3/c1-4-5-6-12-8-10(3)13-7-9(2)11;1-6(8)4-10-7(2)5-9-3/h9-11H,4-8H2,1-3H3;6-8H,4-5H2,1-3H3
InChIKeyDBWIKMIJHOOSNB-UHFFFAOYSA-N
XLogP2.01
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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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
(2S)-1-butoxypropan-2-ol
CID 54289557
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
CID 163521633
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
CID 87650391
1-[2-(2-hydroperoxyethoxy)propoxy]butane
CID 87604055
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
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
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-tridecoxypropan-2-ol
CID 19798268

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol (CID 88546913) is 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol is CCCCOCC(C)OCC(C)O.COCC(C)OCC(C)O.
What is the InChIKey of 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is DBWIKMIJHOOSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3.C7H16O3/c1-4-5-6-12-8-10(3)13-7-9(2)11;1-6(8)4-10-7(2)5-9-3/h9-11H,4-8H2,1-3H3;6-8H,4-5H2,1-3H3.
What are the key properties of 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 338.49 g/mol, XLogP of 2.01, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 88546913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).