1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate

C14H26O5 — CID 525189

IUPAC1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate
SMILESC=CCOCC(C)OCC(C)OCC(C)OC(C)=O
InChIInChI=1S/C14H26O5/c1-6-7-16-8-11(2)17-9-12(3)18-10-13(4)19-14(5)15/h6,11-13H,1,7-10H2,2-5H3
InChIKeyAAVVZXYBUPOMCC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds11

About 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate

1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate (PubChem CID 525189) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate.

Molecular Properties

Compound Name1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate
PubChem CID525189
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate
SMILESC=CCOCC(C)OCC(C)OCC(C)OC(C)=O
InChIInChI=1S/C14H26O5/c1-6-7-16-8-11(2)17-9-12(3)18-10-13(4)19-14(5)15/h6,11-13H,1,7-10H2,2-5H3
InChIKeyAAVVZXYBUPOMCC-UHFFFAOYSA-N
XLogP1.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tetraethylene glycol diacrylate
CID 28803
Tripropylene glycol diacrylate
CID 4128060
Light Acrylate 3EG-A
CID 62414
2-(2-Ethoxyethoxy)ethyl PROP-2-enoate
CID 81766
Tripropyleneglycol diacrylate
CID 93414
Dipropylene glycol diacrylate
CID 3034434
Bis(2-methoxy-1-methylethyl) maleate
CID 87238723
3,4-Diacetoxy-1-butene
CID 2735001
2-Propenoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
CID 79569
2-(2-Butoxyethoxy)ethyl acrylate
CID 81765
2-(2-Methoxyethoxy)ethyl acrylate
CID 81767
1,2-Propanediol diacrylate
CID 91305

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate?
The IUPAC name of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate (CID 525189) is 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate.
What is the SMILES notation for 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate?
The canonical SMILES for 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate is C=CCOCC(C)OCC(C)OCC(C)OC(C)=O.
What is the InChIKey of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate?
The InChIKey is AAVVZXYBUPOMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-6-7-16-8-11(2)17-9-12(3)18-10-13(4)19-14(5)15/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate?
1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate has a molecular weight of 274.36 g/mol, XLogP of 1.95, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl acetate is sourced from PubChem (CID 525189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).