1-butoxypropan-2-ol;1-hexoxypropan-2-ol

C16H36O4 — CID 158093750

IUPAC1-butoxypropan-2-ol;1-hexoxypropan-2-ol
SMILESCCCCCCOCC(C)O.CCCCOCC(C)O
InChIInChI=1S/C9H20O2.C7H16O2/c1-3-4-5-6-7-11-8-9(2)10;1-3-4-5-9-6-7(2)8/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyFOKQDZOWGZGHHR-UHFFFAOYSA-N
MW292.46 g/mol
LogP3.15
Rot. Bonds12

About 1-butoxypropan-2-ol;1-hexoxypropan-2-ol

1-butoxypropan-2-ol;1-hexoxypropan-2-ol (PubChem CID 158093750) has the molecular formula C16H36O4 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-butoxypropan-2-ol;1-hexoxypropan-2-ol.

Molecular Properties

Compound Name1-butoxypropan-2-ol;1-hexoxypropan-2-ol
PubChem CID158093750
Molecular FormulaC16H36O4
Molecular Weight292.46 g/mol
Exact Mass292.26
IUPAC Name1-butoxypropan-2-ol;1-hexoxypropan-2-ol
SMILESCCCCCCOCC(C)O.CCCCOCC(C)O
InChIInChI=1S/C9H20O2.C7H16O2/c1-3-4-5-6-7-11-8-9(2)10;1-3-4-5-9-6-7(2)8/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyFOKQDZOWGZGHHR-UHFFFAOYSA-N
XLogP3.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
(2S)-1-butoxypropan-2-ol
CID 54289557
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
1-(butoxymethoxy)propan-2-ol
CID 131855718
1-butoxypropan-2-ol;propanoic acid
CID 87504807
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-[1-(2-docosoxyethoxy)pentacosan-2-yloxy]propan-2-ol
CID 169296789

Frequently Asked Questions

What is the IUPAC name of 1-butoxypropan-2-ol;1-hexoxypropan-2-ol?
The IUPAC name of 1-butoxypropan-2-ol;1-hexoxypropan-2-ol (CID 158093750) is 1-butoxypropan-2-ol;1-hexoxypropan-2-ol.
What is the SMILES notation for 1-butoxypropan-2-ol;1-hexoxypropan-2-ol?
The canonical SMILES for 1-butoxypropan-2-ol;1-hexoxypropan-2-ol is CCCCCCOCC(C)O.CCCCOCC(C)O.
What is the InChIKey of 1-butoxypropan-2-ol;1-hexoxypropan-2-ol?
The InChIKey is FOKQDZOWGZGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C7H16O2/c1-3-4-5-6-7-11-8-9(2)10;1-3-4-5-9-6-7(2)8/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1-butoxypropan-2-ol;1-hexoxypropan-2-ol?
1-butoxypropan-2-ol;1-hexoxypropan-2-ol has a molecular weight of 292.46 g/mol, XLogP of 3.15, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypropan-2-ol;1-hexoxypropan-2-ol is sourced from PubChem (CID 158093750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).