acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene

C108H178O29 — CID 159736554

IUPACacetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
SMILESC=C(COC(C)COC(C)COC)c1ccc(C(=C)COC(C)COC(C)COC)cc1.C=C(COC(C)COC(C)COC)c1ccc(C(C)=COC(C)COC(C)COC)cc1.CC(=O)OC(C)=O.COCC(C)OCC(C)OC=C(C)c1ccc(C(C)=COC(C)COC(C)COC)cc1.COCC(C)OCC(C)OCC(C)(O)c1ccc(C(C)(O)COC(C)COC(C)COC)cc1
InChIInChI=1S/C26H46O8.3C26H42O6.C4H6O3/c1-19(13-29-7)31-15-21(3)33-17-25(5,27)23-9-11-24(12-10-23)26(6,28)18-34-22(4)16-32-20(2)14-30-8;3*1-19(13-29-23(5)17-31-21(3)15-27-7)25-9-11-26(12-10-25)20(2)14-30-24(6)18-32-22(4)16-28-8;1-3(5)7-4(2)6/h9-12,19-22,27-28H,13-18H2,1-8H3;9-14,21-24H,15-18H2,1-8H3;9-12,14,21-24H,1,13,15-18H2,2-8H3;9-12,21-24H,1-2,13-18H2,3-8H3;1-2H3
InChIKeyNBXKDAOPSGOCPM-UHFFFAOYSA-N
MW1940.58 g/mol
LogP18.03
Rot. Bonds69

About acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene

acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene (PubChem CID 159736554) has the molecular formula C108H178O29 and a molecular weight of 1940.58 g/mol. Its IUPAC name is acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Nameacetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
PubChem CID159736554
Molecular FormulaC108H178O29
Molecular Weight1940.58 g/mol
Exact Mass1939.25
IUPAC Nameacetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
SMILESC=C(COC(C)COC(C)COC)c1ccc(C(=C)COC(C)COC(C)COC)cc1.C=C(COC(C)COC(C)COC)c1ccc(C(C)=COC(C)COC(C)COC)cc1.CC(=O)OC(C)=O.COCC(C)OCC(C)OC=C(C)c1ccc(C(C)=COC(C)COC(C)COC)cc1.COCC(C)OCC(C)OCC(C)(O)c1ccc(C(C)(O)COC(C)COC(C)COC)cc1
InChIInChI=1S/C26H46O8.3C26H42O6.C4H6O3/c1-19(13-29-7)31-15-21(3)33-17-25(5,27)23-9-11-24(12-10-23)26(6,28)18-34-22(4)16-32-20(2)14-30-8;3*1-19(13-29-23(5)17-31-21(3)15-27-7)25-9-11-26(12-10-25)20(2)14-30-24(6)18-32-22(4)16-28-8;1-3(5)7-4(2)6/h9-12,19-22,27-28H,13-18H2,1-8H3;9-14,21-24H,15-18H2,1-8H3;9-12,14,21-24H,1,13,15-18H2,2-8H3;9-12,21-24H,1-2,13-18H2,3-8H3;1-2H3
InChIKeyNBXKDAOPSGOCPM-UHFFFAOYSA-N
XLogP18.03
TPSA305.35 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds69
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.58
LogP ≤ 518.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene with MolForge

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Launch Full Analysis

Related Compounds

1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
CID 156647394
1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
CID 155649037
ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol
CID 156647402
1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene
CID 175729187
1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane
CID 156647415
1-methoxypropan-2-yl 4-tert-butylbenzoate
CID 90150933
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 163241318
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?
The IUPAC name of acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene (CID 159736554) is acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene.
What is the SMILES notation for acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?
The canonical SMILES for acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene is C=C(COC(C)COC(C)COC)c1ccc(C(=C)COC(C)COC(C)COC)cc1.C=C(COC(C)COC(C)COC)c1ccc(C(C)=COC(C)COC(C)COC)cc1.CC(=O)OC(C)=O.COCC(C)OCC(C)OC=C(C)c1ccc(C(C)=COC(C)COC(C)COC)cc1.COCC(C)OCC(C)OCC(C)(O)c1ccc(C(C)(O)COC(C)COC(C)COC)cc1.
What is the InChIKey of acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?
The InChIKey is NBXKDAOPSGOCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O8.3C26H42O6.C4H6O3/c1-19(13-29-7)31-15-21(3)33-17-25(5,27)23-9-11-24(12-10-23)26(6,28)18-34-22(4)16-32-20(2)14-30-8;3*1-19(13-29-23(5)17-31-21(3)15-27-7)25-9-11-26(12-10-25)20(2)14-30-24(6)18-32-22(4)16-28-8;1-3(5)7-4(2)6/h9-12,19-22,27-28H,13-18H2,1-8H3;9-14,21-24H,15-18H2,1-8H3;9-12,14,21-24H,1,13,15-18H2,2-8H3;9-12,21-24H,1-2,13-18H2,3-8H3;1-2H3.
What are the key properties of acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?
acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene has a molecular weight of 1940.58 g/mol, XLogP of 18.03, 69 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;1,4-bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;1,4-bis[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;2-[4-[2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]phenyl]-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol;1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 159736554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).