2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane

C30H50O4 — CID 11005259

IUPAC2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C\COC1CCCCO1)COC1CCCCO1
InChIInChI=1S/C30H50O4/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-17-28(24-34-30-19-6-8-22-32-30)20-23-33-29-18-5-7-21-31-29/h12,14,16,20,29-30H,5-11,13,15,17-19,21-24H2,1-4H3/b26-14+,27-16+,28-20+
InChIKeyZLCBBXMNVIJDDM-YHVVAEAJSA-N
MW474.73 g/mol
LogP8.20
Rot. Bonds15

About 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane

2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane (PubChem CID 11005259) has the molecular formula C30H50O4 and a molecular weight of 474.73 g/mol. Its IUPAC name is 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane.

Molecular Properties

Compound Name2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane
PubChem CID11005259
Molecular FormulaC30H50O4
Molecular Weight474.73 g/mol
Exact Mass474.37
IUPAC Name2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C\COC1CCCCO1)COC1CCCCO1
InChIInChI=1S/C30H50O4/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-17-28(24-34-30-19-6-8-22-32-30)20-23-33-29-18-5-7-21-31-29/h12,14,16,20,29-30H,5-11,13,15,17-19,21-24H2,1-4H3/b26-14+,27-16+,28-20+
InChIKeyZLCBBXMNVIJDDM-YHVVAEAJSA-N
XLogP8.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane?
The IUPAC name of 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane (CID 11005259) is 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane.
What is the SMILES notation for 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane?
The canonical SMILES for 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C\COC1CCCCO1)COC1CCCCO1.
What is the InChIKey of 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane?
The InChIKey is ZLCBBXMNVIJDDM-YHVVAEAJSA-N. The full InChI is InChI=1S/C30H50O4/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-17-28(24-34-30-19-6-8-22-32-30)20-23-33-29-18-5-7-21-31-29/h12,14,16,20,29-30H,5-11,13,15,17-19,21-24H2,1-4H3/b26-14+,27-16+,28-20+.
What are the key properties of 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane?
2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane has a molecular weight of 474.73 g/mol, XLogP of 8.20, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane is sourced from PubChem (CID 11005259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).