1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol

C11H22O6 — CID 87659385

IUPAC1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol
SMILESCC(O)COC=C(OCC(C)O)OCC(C)O
InChIInChI=1S/C11H22O6/c1-8(12)4-15-7-11(16-5-9(2)13)17-6-10(3)14/h7-10,12-14H,4-6H2,1-3H3
InChIKeyBAPLIJWALZTKPJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.02
Rot. Bonds9

About 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol

1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol (PubChem CID 87659385) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol
PubChem CID87659385
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol
SMILESCC(O)COC=C(OCC(C)O)OCC(C)O
InChIInChI=1S/C11H22O6/c1-8(12)4-15-7-11(16-5-9(2)13)17-6-10(3)14/h7-10,12-14H,4-6H2,1-3H3
InChIKeyBAPLIJWALZTKPJ-UHFFFAOYSA-N
XLogP-0.02
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.02
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-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol
CID 54245312
1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate
CID 175902908
ethanol;2-hydroxypropyl acetate
CID 88717262
2-hydroxypropoxycarbonyl(trimethyl)azanium
CID 175444209
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-[1-(methylamino)prop-1-enoxy]propan-2-ol
CID 173389438
2-hydroxypropyl acetate;mercury
CID 174858394
2-hydroxypropyl acetate;methoxyperoxymethane
CID 87580480
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
1-(4-bromopent-1-enoxy)propan-2-ol
CID 139925877
2-hydroxypropyl 2-(hydroxymethyl)prop-2-enoate
CID 87776610

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol?
The IUPAC name of 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol (CID 87659385) is 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol.
What is the SMILES notation for 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol?
The canonical SMILES for 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol is CC(O)COC=C(OCC(C)O)OCC(C)O.
What is the InChIKey of 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol?
The InChIKey is BAPLIJWALZTKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6/c1-8(12)4-15-7-11(16-5-9(2)13)17-6-10(3)14/h7-10,12-14H,4-6H2,1-3H3.
What are the key properties of 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol?
1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol has a molecular weight of 250.29 g/mol, XLogP of -0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol is sourced from PubChem (CID 87659385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).