3-(10-prop-2-enoyloxydecoxy)benzoic acid

C20H28O5 — CID 101392903

IUPAC3-(10-prop-2-enoyloxydecoxy)benzoic acid
SMILESC=CC(=O)OCCCCCCCCCCOc1cccc(C(=O)O)c1
InChIInChI=1S/C20H28O5/c1-2-19(21)25-15-10-8-6-4-3-5-7-9-14-24-18-13-11-12-17(16-18)20(22)23/h2,11-13,16H,1,3-10,14-15H2,(H,22,23)
InChIKeyLYBYMIMRUUDMNS-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.61
Rot. Bonds14

About 3-(10-prop-2-enoyloxydecoxy)benzoic acid

3-(10-prop-2-enoyloxydecoxy)benzoic acid (PubChem CID 101392903) has the molecular formula C20H28O5 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(10-prop-2-enoyloxydecoxy)benzoic acid.

Molecular Properties

Compound Name3-(10-prop-2-enoyloxydecoxy)benzoic acid
PubChem CID101392903
Molecular FormulaC20H28O5
Molecular Weight348.44 g/mol
Exact Mass348.19
IUPAC Name3-(10-prop-2-enoyloxydecoxy)benzoic acid
SMILESC=CC(=O)OCCCCCCCCCCOc1cccc(C(=O)O)c1
InChIInChI=1S/C20H28O5/c1-2-19(21)25-15-10-8-6-4-3-5-7-9-14-24-18-13-11-12-17(16-18)20(22)23/h2,11-13,16H,1,3-10,14-15H2,(H,22,23)
InChIKeyLYBYMIMRUUDMNS-UHFFFAOYSA-N
XLogP4.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
[3-methyl-4-[3-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 3-(6-prop-2-enoyloxyhexoxy)benzoate
CID 122390183
benzoic acid;3-hydroxypropyl prop-2-enoate
CID 161094010
4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoic acid
CID 23516352
3,4,5-tris(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 90240498
7-(2-phenylpyrimidin-5-yl)oxyheptyl prop-2-enoate
CID 140977152
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
6-(3-fluoro-4-formylphenoxy)hexyl prop-2-enoate
CID 174332719

Frequently Asked Questions

What is the IUPAC name of 3-(10-prop-2-enoyloxydecoxy)benzoic acid?
The IUPAC name of 3-(10-prop-2-enoyloxydecoxy)benzoic acid (CID 101392903) is 3-(10-prop-2-enoyloxydecoxy)benzoic acid.
What is the SMILES notation for 3-(10-prop-2-enoyloxydecoxy)benzoic acid?
The canonical SMILES for 3-(10-prop-2-enoyloxydecoxy)benzoic acid is C=CC(=O)OCCCCCCCCCCOc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(10-prop-2-enoyloxydecoxy)benzoic acid?
The InChIKey is LYBYMIMRUUDMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O5/c1-2-19(21)25-15-10-8-6-4-3-5-7-9-14-24-18-13-11-12-17(16-18)20(22)23/h2,11-13,16H,1,3-10,14-15H2,(H,22,23).
What are the key properties of 3-(10-prop-2-enoyloxydecoxy)benzoic acid?
3-(10-prop-2-enoyloxydecoxy)benzoic acid has a molecular weight of 348.44 g/mol, XLogP of 4.61, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-prop-2-enoyloxydecoxy)benzoic acid is sourced from PubChem (CID 101392903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).