1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol

C9H18O4 — CID 88555972

IUPAC1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC=C(CO)OCC(C)OCC(C)O
InChIInChI=1S/C9H18O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7,9-11H,2,4-6H2,1,3H3
InChIKeyUAJSOXZMCAZETM-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.29
Rot. Bonds7

About 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 88555972) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID88555972
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC=C(CO)OCC(C)OCC(C)O
InChIInChI=1S/C9H18O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7,9-11H,2,4-6H2,1,3H3
InChIKeyUAJSOXZMCAZETM-UHFFFAOYSA-N
XLogP0.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol (CID 88555972) is 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol is C=C(CO)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is UAJSOXZMCAZETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7,9-11H,2,4-6H2,1,3H3.
What are the key properties of 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 190.24 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 88555972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).