[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate

C30H27O6Sb — CID 172846034

IUPAC[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc([Sb](c2ccc(OC(=O)C(=C)C)cc2)c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/3C10H9O2.Sb/c3*1-8(2)10(11)12-9-6-4-3-5-7-9;/h3*4-7H,1H2,2H3;
InChIKeyXKXZDXBPDLKMAI-UHFFFAOYSA-N
MW605.30 g/mol
LogP3.65
Rot. Bonds9

About [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate

[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate (PubChem CID 172846034) has the molecular formula C30H27O6Sb and a molecular weight of 605.30 g/mol. Its IUPAC name is [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
PubChem CID172846034
Molecular FormulaC30H27O6Sb
Molecular Weight605.30 g/mol
Exact Mass604.08
IUPAC Name[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc([Sb](c2ccc(OC(=O)C(=C)C)cc2)c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/3C10H9O2.Sb/c3*1-8(2)10(11)12-9-6-4-3-5-7-9;/h3*4-7H,1H2,2H3;
InChIKeyXKXZDXBPDLKMAI-UHFFFAOYSA-N
XLogP3.65
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109

Frequently Asked Questions

What is the IUPAC name of [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate (CID 172846034) is [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc([Sb](c2ccc(OC(=O)C(=C)C)cc2)c2ccc(OC(=O)C(=C)C)cc2)cc1.
What is the InChIKey of [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate?
The InChIKey is XKXZDXBPDLKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H9O2.Sb/c3*1-8(2)10(11)12-9-6-4-3-5-7-9;/h3*4-7H,1H2,2H3;.
What are the key properties of [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate?
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate has a molecular weight of 605.30 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 172846034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).