2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane

C25H44O2 — CID 11014292

IUPAC2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane
SMILESCC(C)=CCC[C@@H](C)CCC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C25H44O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-27-25-17-6-7-19-26-25/h11,15,18,22,25H,6-10,12-14,16-17,19-20H2,1-5H3/b23-15+,24-18+/t22-,25?/m1/s1
InChIKeyCWNUUOKFWZEPGH-VXZNFPPPSA-N
MW376.63 g/mol
LogP7.76
Rot. Bonds13

About 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane

2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane (PubChem CID 11014292) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane.

Molecular Properties

Compound Name2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane
PubChem CID11014292
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane
SMILESCC(C)=CCC[C@@H](C)CCC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C25H44O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-27-25-17-6-7-19-26-25/h11,15,18,22,25H,6-10,12-14,16-17,19-20H2,1-5H3/b23-15+,24-18+/t22-,25?/m1/s1
InChIKeyCWNUUOKFWZEPGH-VXZNFPPPSA-N
XLogP7.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane?
The IUPAC name of 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane (CID 11014292) is 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane.
What is the SMILES notation for 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane?
The canonical SMILES for 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane is CC(C)=CCC[C@@H](C)CCC/C(C)=C/CC/C(C)=C/COC1CCCCO1.
What is the InChIKey of 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane?
The InChIKey is CWNUUOKFWZEPGH-VXZNFPPPSA-N. The full InChI is InChI=1S/C25H44O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-27-25-17-6-7-19-26-25/h11,15,18,22,25H,6-10,12-14,16-17,19-20H2,1-5H3/b23-15+,24-18+/t22-,25?/m1/s1.
What are the key properties of 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane?
2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane has a molecular weight of 376.63 g/mol, XLogP of 7.76, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trienoxy]oxane is sourced from PubChem (CID 11014292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).