3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid

C19H26O4 — CID 151186182

IUPAC3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid
SMILESCCC(/C=C(\C)CCC=C(C)C)Oc1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C19H26O4/c1-5-17(9-14(4)8-6-7-13(2)3)23-18-11-15(19(21)22)10-16(20)12-18/h7,9-12,17,20H,5-6,8H2,1-4H3,(H,21,22)/b14-9+
InChIKeyNFIPIZXJPQVUTB-NTEUORMPSA-N
MW318.41 g/mol
LogP4.94
Rot. Bonds8

About 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid

3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid (PubChem CID 151186182) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid
PubChem CID151186182
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid
SMILESCCC(/C=C(\C)CCC=C(C)C)Oc1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C19H26O4/c1-5-17(9-14(4)8-6-7-13(2)3)23-18-11-15(19(21)22)10-16(20)12-18/h7,9-12,17,20H,5-6,8H2,1-4H3,(H,21,22)/b14-9+
InChIKeyNFIPIZXJPQVUTB-NTEUORMPSA-N
XLogP4.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(3,7-dimethylocta-2,6-dienyl)-4-hydroxybenzoic acid
CID 85102852
[(3R,4E)-5,9-dimethyldeca-4,8-dien-3-yl] pyridine-2-carboxylate
CID 71663754
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
CID 70357331
4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4,5-dihydroxybenzoic acid
CID 25010746
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxy-5-methoxybenzoic acid
CID 5280776
4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
CID 54278748
[(3E)-4,8-dimethyl-1-phenylsulfanylnona-3,7-dien-2-yl] acetate
CID 11758966
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774
4-hydroxy-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]benzoic acid
CID 25106251
4-hydroxy-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzoic acid
CID 100
3-[(2Z)-3,7-dimethylocta-2,6-dienoyl]-4-hydroxybenzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienoyl]-4-hydroxybenzoic acid
CID 71598391

Frequently Asked Questions

What is the IUPAC name of 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid?
The IUPAC name of 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid (CID 151186182) is 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid.
What is the SMILES notation for 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid?
The canonical SMILES for 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid is CCC(/C=C(\C)CCC=C(C)C)Oc1cc(O)cc(C(=O)O)c1.
What is the InChIKey of 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid?
The InChIKey is NFIPIZXJPQVUTB-NTEUORMPSA-N. The full InChI is InChI=1S/C19H26O4/c1-5-17(9-14(4)8-6-7-13(2)3)23-18-11-15(19(21)22)10-16(20)12-18/h7,9-12,17,20H,5-6,8H2,1-4H3,(H,21,22)/b14-9+.
What are the key properties of 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid?
3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid has a molecular weight of 318.41 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4E)-5,9-dimethyldeca-4,8-dien-3-yl]oxy-5-hydroxybenzoic acid is sourced from PubChem (CID 151186182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).