2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane

C12H28O4 — CID 23067081

IUPAC2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
SMILESCC(O)COC(C)CO.CCCOCCC
InChIInChI=1S/C6H14O3.C6H14O/c1-5(8)4-9-6(2)3-7;1-3-5-7-6-4-2/h5-8H,3-4H2,1-2H3;3-6H2,1-2H3
InChIKeyDZXCTSZZNHMZML-UHFFFAOYSA-N
MW236.35 g/mol
LogP1.59
Rot. Bonds8

About 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane

2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane (PubChem CID 23067081) has the molecular formula C12H28O4 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
PubChem CID23067081
Molecular FormulaC12H28O4
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
SMILESCC(O)COC(C)CO.CCCOCCC
InChIInChI=1S/C6H14O3.C6H14O/c1-5(8)4-9-6(2)3-7;1-3-5-7-6-4-2/h5-8H,3-4H2,1-2H3;3-6H2,1-2H3
InChIKeyDZXCTSZZNHMZML-UHFFFAOYSA-N
XLogP1.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 51.59
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

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
CID 87650391
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
(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-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
butanal;2-(2-hydroxypropoxy)propan-1-ol
CID 87090505
2-hydroxybutanedioic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87459126
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane (CID 23067081) is 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane is CC(O)COC(C)CO.CCCOCCC.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane?
The InChIKey is DZXCTSZZNHMZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C6H14O/c1-5(8)4-9-6(2)3-7;1-3-5-7-6-4-2/h5-8H,3-4H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane?
2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane has a molecular weight of 236.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane is sourced from PubChem (CID 23067081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).