(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid

C24H34O6 — CID 11475609

IUPAC(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
SMILESC/C(=C\CC/C(C)=C/COC(=O)/C=C/C(=O)O)CC/C=C(\C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C24H34O6/c1-18(8-5-9-19(2)12-7-13-21(4)24(28)29)10-6-11-20(3)16-17-30-23(27)15-14-22(25)26/h9-10,13-16H,5-8,11-12,17H2,1-4H3,(H,25,26)(H,28,29)/b15-14+,18-10+,19-9+,20-16+,21-13+
InChIKeyZGKBVLVSZSECNY-PAUNICHOSA-N
MW418.53 g/mol
LogP5.38
Rot. Bonds14

About (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid

(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid (PubChem CID 11475609) has the molecular formula C24H34O6 and a molecular weight of 418.53 g/mol. Its IUPAC name is (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid.

Molecular Properties

Compound Name(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
PubChem CID11475609
Molecular FormulaC24H34O6
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC Name(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
SMILESC/C(=C\CC/C(C)=C/COC(=O)/C=C/C(=O)O)CC/C=C(\C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C24H34O6/c1-18(8-5-9-19(2)12-7-13-21(4)24(28)29)10-6-11-20(3)16-17-30-23(27)15-14-22(25)26/h9-10,13-16H,5-8,11-12,17H2,1-4H3,(H,25,26)(H,28,29)/b15-14+,18-10+,19-9+,20-16+,21-13+
InChIKeyZGKBVLVSZSECNY-PAUNICHOSA-N
XLogP5.38
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid with MolForge

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Launch Full Analysis

Related Compounds

Geranyl tiglate
CID 5367785
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
Cavipetin B
CID 11237396
Cavipetin A
CID 14527061
2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
CID 131881186
Cavipetin D
CID 14527064
(E)-2-Hexenyl 2-methyl-(E)-2-butenoate
CID 5353010
Geranyl Angelate
CID 38988903
2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,Z)-
CID 20836217
3,7-Dimethylocta-2,6-dienyl but-2-enoate
CID 41771
Cavipetin C
CID 14527070
6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate
CID 15491080

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The IUPAC name of (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid (CID 11475609) is (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid.
What is the SMILES notation for (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The canonical SMILES for (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid is C/C(=C\CC/C(C)=C/COC(=O)/C=C/C(=O)O)CC/C=C(\C)CC/C=C(\C)C(=O)O.
What is the InChIKey of (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The InChIKey is ZGKBVLVSZSECNY-PAUNICHOSA-N. The full InChI is InChI=1S/C24H34O6/c1-18(8-5-9-19(2)12-7-13-21(4)24(28)29)10-6-11-20(3)16-17-30-23(27)15-14-22(25)26/h9-10,13-16H,5-8,11-12,17H2,1-4H3,(H,25,26)(H,28,29)/b15-14+,18-10+,19-9+,20-16+,21-13+.
What are the key properties of (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid has a molecular weight of 418.53 g/mol, XLogP of 5.38, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid is sourced from PubChem (CID 11475609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).