[1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate

C22H28O4 — CID 89268647

IUPAC[1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate
SMILESC=CCOCC(COC1=CC=C(C2=CC=CCC2)CC1)OC(=O)C(=C)C
InChIInChI=1S/C22H28O4/c1-4-14-24-15-21(26-22(23)17(2)3)16-25-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h4-6,8,10,12,21H,1-2,7,9,11,13-16H2,3H3
InChIKeyUSHMWPDAHZMZEZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.57
Rot. Bonds10

About [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate

[1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate (PubChem CID 89268647) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate
PubChem CID89268647
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name[1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate
SMILESC=CCOCC(COC1=CC=C(C2=CC=CCC2)CC1)OC(=O)C(=C)C
InChIInChI=1S/C22H28O4/c1-4-14-24-15-21(26-22(23)17(2)3)16-25-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h4-6,8,10,12,21H,1-2,7,9,11,13-16H2,3H3
InChIKeyUSHMWPDAHZMZEZ-UHFFFAOYSA-N
XLogP4.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate with MolForge

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Related Compounds

1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl 4-cyclohexa-1,3-dien-1-ylbenzoate
CID 70639945
[1-methoxy-3-(3-methylbut-2-enoxy)propan-2-yl] 2-methylprop-2-enoate
CID 164835881
[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoxypropan-2-yl] 3-oxobutanoate
CID 88727868
2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate
CID 155219783
2-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]propyl 2-methylprop-2-enoate
CID 155219871
[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 142355306
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
(1-amino-3-cyclohexa-1,5-dien-1-yloxypropan-2-yl) 2-methylprop-2-enoate
CID 142355311
1,3-bis(4-ethylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322416
3-[4-[[4-(4-prop-2-enoyloxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]methoxy]cyclohexa-1,3-dien-1-yl]propyl 2-methylprop-2-enoate
CID 155219892
(1-prop-2-enoxy-3-sulfanylpropan-2-yl) acetate
CID 122381488
[1-[3-[2-(2-methylprop-2-enoyloxy)-3-(3-phenylphenoxy)propoxy]phenoxy]-3-(3-phenylphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 23111057

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate (CID 89268647) is [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate is C=CCOCC(COC1=CC=C(C2=CC=CCC2)CC1)OC(=O)C(=C)C.
What is the InChIKey of [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is USHMWPDAHZMZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-4-14-24-15-21(26-22(23)17(2)3)16-25-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h4-6,8,10,12,21H,1-2,7,9,11,13-16H2,3H3.
What are the key properties of [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate?
[1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 356.46 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)oxy-3-prop-2-enoxypropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 89268647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).