2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane

C20H34O2 — CID 12526350

IUPAC2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane
SMILESC=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1CCCCO1
InChIInChI=1S/C20H34O2/c1-6-20(5,22-19-14-7-8-16-21-19)15-10-13-18(4)12-9-11-17(2)3/h6,11,13,19H,1,7-10,12,14-16H2,2-5H3/b18-13+
InChIKeyYLLCCBNKLAWZRL-QGOAFFKASA-N
MW306.49 g/mol
LogP5.95
Rot. Bonds9

About 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane

2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane (PubChem CID 12526350) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane
PubChem CID12526350
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane
SMILESC=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1CCCCO1
InChIInChI=1S/C20H34O2/c1-6-20(5,22-19-14-7-8-16-21-19)15-10-13-18(4)12-9-11-17(2)3/h6,11,13,19H,1,7-10,12,14-16H2,2-5H3/b18-13+
InChIKeyYLLCCBNKLAWZRL-QGOAFFKASA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.95
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-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane?
The IUPAC name of 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane (CID 12526350) is 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane.
What is the SMILES notation for 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane?
The canonical SMILES for 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane is C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1CCCCO1.
What is the InChIKey of 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane?
The InChIKey is YLLCCBNKLAWZRL-QGOAFFKASA-N. The full InChI is InChI=1S/C20H34O2/c1-6-20(5,22-19-14-7-8-16-21-19)15-10-13-18(4)12-9-11-17(2)3/h6,11,13,19H,1,7-10,12,14-16H2,2-5H3/b18-13+.
What are the key properties of 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane?
2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane has a molecular weight of 306.49 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane is sourced from PubChem (CID 12526350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).