1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol

C12H24O6 — CID 54270104

IUPAC1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol
SMILESCC(OCC(C)O)=C(OCC(C)O)OCC(C)O
InChIInChI=1S/C12H24O6/c1-8(13)5-16-11(4)12(17-6-9(2)14)18-7-10(3)15/h8-10,13-15H,5-7H2,1-4H3
InChIKeyRJNGKZBBABQSIX-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.37
Rot. Bonds9

About 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol

1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol (PubChem CID 54270104) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol
PubChem CID54270104
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol
SMILESCC(OCC(C)O)=C(OCC(C)O)OCC(C)O
InChIInChI=1S/C12H24O6/c1-8(13)5-16-11(4)12(17-6-9(2)14)18-7-10(3)15/h8-10,13-15H,5-7H2,1-4H3
InChIKeyRJNGKZBBABQSIX-UHFFFAOYSA-N
XLogP0.37
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Ethoxyisopropoxy)-2-propanol
CID 129651660
2-[2-(2-Hydroxyethoxy)butan-2-yloxy]ethanol
CID 58319894
1-[1-[1-Methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol
CID 18409939
1-[(2-Methyl-1,4,7,10,13-pentaoxacyclopentadec-2-yl)oxy]propan-2-ol
CID 20444449
1-[1,1-Bis(2-hydroxypropoxy)propoxy]propan-2-ol
CID 53954587
2,3,3-Triethoxyprop-2-en-1-ol
CID 54359045
1,1,1-Triethoxypropan-2-ol
CID 87156976
2-[1-(2-Hydroxyethoxy)-2-methylprop-1-enoxy]ethanol
CID 87234189
2-(1,2-Diethoxyprop-1-enoxy)ethanol
CID 87248404
2-[2-[2-(1,2-Diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
CID 87248467
1,1,2-Tris(2-ethoxyethoxy)prop-1-ene
CID 87405701
1,1,1,3-Tetraethoxypropan-2-ol
CID 87463789

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol (CID 54270104) is 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol is CC(OCC(C)O)=C(OCC(C)O)OCC(C)O.
What is the InChIKey of 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol?
The InChIKey is RJNGKZBBABQSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c1-8(13)5-16-11(4)12(17-6-9(2)14)18-7-10(3)15/h8-10,13-15H,5-7H2,1-4H3.
What are the key properties of 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol?
1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol has a molecular weight of 264.32 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol is sourced from PubChem (CID 54270104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).