2-(2-but-1-enoxypropoxy)propan-1-ol

C10H20O3 — CID 153326022

IUPAC2-(2-but-1-enoxypropoxy)propan-1-ol
SMILESCCC=COC(C)COC(C)CO
InChIInChI=1S/C10H20O3/c1-4-5-6-12-10(3)8-13-9(2)7-11/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyGUJJMTINJYBQCC-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds7

About 2-(2-but-1-enoxypropoxy)propan-1-ol

2-(2-but-1-enoxypropoxy)propan-1-ol (PubChem CID 153326022) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-but-1-enoxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-but-1-enoxypropoxy)propan-1-ol
PubChem CID153326022
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(2-but-1-enoxypropoxy)propan-1-ol
SMILESCCC=COC(C)COC(C)CO
InChIInChI=1S/C10H20O3/c1-4-5-6-12-10(3)8-13-9(2)7-11/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyGUJJMTINJYBQCC-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211
methoxymethane;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 161462998
2-[2-(2-ethoxypropoxy)propoxy]propan-1-ol;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 160742251
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-(2-methoxypropoxy)propan-1-ol;propane-1,2-diol
CID 87149453
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(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
ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol
CID 173186906

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-1-enoxypropoxy)propan-1-ol?
The IUPAC name of 2-(2-but-1-enoxypropoxy)propan-1-ol (CID 153326022) is 2-(2-but-1-enoxypropoxy)propan-1-ol.
What is the SMILES notation for 2-(2-but-1-enoxypropoxy)propan-1-ol?
The canonical SMILES for 2-(2-but-1-enoxypropoxy)propan-1-ol is CCC=COC(C)COC(C)CO.
What is the InChIKey of 2-(2-but-1-enoxypropoxy)propan-1-ol?
The InChIKey is GUJJMTINJYBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-6-12-10(3)8-13-9(2)7-11/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 2-(2-but-1-enoxypropoxy)propan-1-ol?
2-(2-but-1-enoxypropoxy)propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-1-enoxypropoxy)propan-1-ol is sourced from PubChem (CID 153326022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).