4-(10-prop-2-enoyloxydecoxy)benzoic acid

C20H28O5 — CID 18942550

IUPAC4-(10-prop-2-enoyloxydecoxy)benzoic acid
SMILESC=CC(=O)OCCCCCCCCCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H28O5/c1-2-19(21)25-16-10-8-6-4-3-5-7-9-15-24-18-13-11-17(12-14-18)20(22)23/h2,11-14H,1,3-10,15-16H2,(H,22,23)
InChIKeyBYHJFJWELPBFAI-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.61
Rot. Bonds14

About 4-(10-prop-2-enoyloxydecoxy)benzoic acid

4-(10-prop-2-enoyloxydecoxy)benzoic acid (PubChem CID 18942550) has the molecular formula C20H28O5 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(10-prop-2-enoyloxydecoxy)benzoic acid.

Molecular Properties

Compound Name4-(10-prop-2-enoyloxydecoxy)benzoic acid
PubChem CID18942550
Molecular FormulaC20H28O5
Molecular Weight348.44 g/mol
Exact Mass348.19
IUPAC Name4-(10-prop-2-enoyloxydecoxy)benzoic acid
SMILESC=CC(=O)OCCCCCCCCCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H28O5/c1-2-19(21)25-16-10-8-6-4-3-5-7-9-15-24-18-13-11-17(12-14-18)20(22)23/h2,11-14H,1,3-10,15-16H2,(H,22,23)
InChIKeyBYHJFJWELPBFAI-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-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoic acid
CID 23516352
4-bromoaniline;4-(7-prop-2-enoyloxyheptoxy)benzoic acid
CID 70363903
4-methoxyaniline;4-(5-prop-2-enoyloxypentoxy)benzoic acid
CID 70364014
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 10165717
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
[4-[4-(8-hydroxyoctoxy)benzoyl]oxyphenyl] 4-(11-prop-2-enoyloxyundecoxy)benzoate
CID 58019589
2-methylbenzene-1,3-dicarboxylic acid;4-(3-prop-2-enoyloxypropoxy)benzoic acid
CID 174567210
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
[4-(6-prop-2-enoyloxyhexoxy)benzoyl] 4-phenylbenzoate
CID 174791572

Frequently Asked Questions

What is the IUPAC name of 4-(10-prop-2-enoyloxydecoxy)benzoic acid?
The IUPAC name of 4-(10-prop-2-enoyloxydecoxy)benzoic acid (CID 18942550) is 4-(10-prop-2-enoyloxydecoxy)benzoic acid.
What is the SMILES notation for 4-(10-prop-2-enoyloxydecoxy)benzoic acid?
The canonical SMILES for 4-(10-prop-2-enoyloxydecoxy)benzoic acid is C=CC(=O)OCCCCCCCCCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(10-prop-2-enoyloxydecoxy)benzoic acid?
The InChIKey is BYHJFJWELPBFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O5/c1-2-19(21)25-16-10-8-6-4-3-5-7-9-15-24-18-13-11-17(12-14-18)20(22)23/h2,11-14H,1,3-10,15-16H2,(H,22,23).
What are the key properties of 4-(10-prop-2-enoyloxydecoxy)benzoic acid?
4-(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 4-(10-prop-2-enoyloxydecoxy)benzoic acid is sourced from PubChem (CID 18942550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).