[(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate

C24H38O4 — CID 44584714

IUPAC[(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)C[C@H](/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C24H38O4/c1-18(2)10-8-12-20(4)16-24(28-23(7)26)17-21(5)13-9-11-19(3)14-15-27-22(6)25/h10,13-14,16,24H,8-9,11-12,15,17H2,1-7H3/b19-14+,20-16+,21-13+/t24-/m0/s1
InChIKeyNOPCXJLJBIFEMZ-MVVZCQSOSA-N
MW390.56 g/mol
LogP6.24
Rot. Bonds12

About [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate

[(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate (PubChem CID 44584714) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate.

Molecular Properties

Compound Name[(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate
PubChem CID44584714
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name[(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)C[C@H](/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C24H38O4/c1-18(2)10-8-12-20(4)16-24(28-23(7)26)17-21(5)13-9-11-19(3)14-15-27-22(6)25/h10,13-14,16,24H,8-9,11-12,15,17H2,1-7H3/b19-14+,20-16+,21-13+/t24-/m0/s1
InChIKeyNOPCXJLJBIFEMZ-MVVZCQSOSA-N
XLogP6.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate?
The IUPAC name of [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate (CID 44584714) is [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate.
What is the SMILES notation for [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate?
The canonical SMILES for [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate is CC(=O)OC/C=C(\C)CC/C=C(\C)C[C@H](/C=C(\C)CCC=C(C)C)OC(C)=O.
What is the InChIKey of [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate?
The InChIKey is NOPCXJLJBIFEMZ-MVVZCQSOSA-N. The full InChI is InChI=1S/C24H38O4/c1-18(2)10-8-12-20(4)16-24(28-23(7)26)17-21(5)13-9-11-19(3)14-15-27-22(6)25/h10,13-14,16,24H,8-9,11-12,15,17H2,1-7H3/b19-14+,20-16+,21-13+/t24-/m0/s1.
What are the key properties of [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate?
[(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate has a molecular weight of 390.56 g/mol, XLogP of 6.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate is sourced from PubChem (CID 44584714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).