(8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne

C19H26O2 — CID 10803156

IUPAC(8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne
SMILESCCC[C@H](/C=C/C=C/C=C/C#CC#CCCCOC)OC
InChIInChI=1S/C19H26O2/c1-4-16-19(21-3)17-14-12-10-8-6-5-7-9-11-13-15-18-20-2/h6,8,10,12,14,17,19H,4,13,15-16,18H2,1-3H3/b8-6+,12-10+,17-14+/t19-/m1/s1
InChIKeyAFTAXRDKAALBHW-HRFDSNEHSA-N
MW286.42 g/mol
LogP3.90
Rot. Bonds9

About (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne

(8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne (PubChem CID 10803156) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne.

Molecular Properties

Compound Name(8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne
PubChem CID10803156
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne
SMILESCCC[C@H](/C=C/C=C/C=C/C#CC#CCCCOC)OC
InChIInChI=1S/C19H26O2/c1-4-16-19(21-3)17-14-12-10-8-6-5-7-9-11-13-15-18-20-2/h6,8,10,12,14,17,19H,4,13,15-16,18H2,1-3H3/b8-6+,12-10+,17-14+/t19-/m1/s1
InChIKeyAFTAXRDKAALBHW-HRFDSNEHSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne?
The IUPAC name of (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne (CID 10803156) is (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne.
What is the SMILES notation for (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne?
The canonical SMILES for (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne is CCC[C@H](/C=C/C=C/C=C/C#CC#CCCCOC)OC.
What is the InChIKey of (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne?
The InChIKey is AFTAXRDKAALBHW-HRFDSNEHSA-N. The full InChI is InChI=1S/C19H26O2/c1-4-16-19(21-3)17-14-12-10-8-6-5-7-9-11-13-15-18-20-2/h6,8,10,12,14,17,19H,4,13,15-16,18H2,1-3H3/b8-6+,12-10+,17-14+/t19-/m1/s1.
What are the key properties of (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne?
(8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne has a molecular weight of 286.42 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E,12E,14R)-1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne is sourced from PubChem (CID 10803156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).