2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane

C16H36O5 — CID 87650391

IUPAC2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
SMILESCC(O)COC(C)COC(C)CO.CCCCOCCC
InChIInChI=1S/C9H20O4.C7H16O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-5-7-8-6-4-2/h7-11H,4-6H2,1-3H3;3-7H2,1-2H3
InChIKeySOGMDLCOKUSESJ-UHFFFAOYSA-N
MW308.46 g/mol
LogP2.38
Rot. Bonds12

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane (PubChem CID 87650391) has the molecular formula C16H36O5 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
PubChem CID87650391
Molecular FormulaC16H36O5
Molecular Weight308.46 g/mol
Exact Mass308.26
IUPAC Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
SMILESCC(O)COC(C)COC(C)CO.CCCCOCCC
InChIInChI=1S/C9H20O4.C7H16O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-5-7-8-6-4-2/h7-11H,4-6H2,1-3H3;3-7H2,1-2H3
InChIKeySOGMDLCOKUSESJ-UHFFFAOYSA-N
XLogP2.38
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
CID 23067081
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
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
1-dodecoxy-3-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87802655
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane?
The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane (CID 87650391) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane is CC(O)COC(C)COC(C)CO.CCCCOCCC.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane?
The InChIKey is SOGMDLCOKUSESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C7H16O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-5-7-8-6-4-2/h7-11H,4-6H2,1-3H3;3-7H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane?
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane has a molecular weight of 308.46 g/mol, XLogP of 2.38, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane is sourced from PubChem (CID 87650391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).