2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane

C20H34O2 — CID 54481143

IUPAC2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOC1CCCCO1
InChIInChI=1S/C20H34O2/c1-17(2)9-7-10-18(3)11-8-12-19(4)14-16-22-20-13-5-6-15-21-20/h9,11,14,20H,5-8,10,12-13,15-16H2,1-4H3
InChIKeyXPBIICJUTJFRKE-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.95
Rot. Bonds9

About 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane

2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane (PubChem CID 54481143) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane.

Molecular Properties

Compound Name2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane
PubChem CID54481143
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOC1CCCCO1
InChIInChI=1S/C20H34O2/c1-17(2)9-7-10-18(3)11-8-12-19(4)14-16-22-20-13-5-6-15-21-20/h9,11,14,20H,5-8,10,12-13,15-16H2,1-4H3
InChIKeyXPBIICJUTJFRKE-UHFFFAOYSA-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-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane?
The IUPAC name of 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane (CID 54481143) is 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane.
What is the SMILES notation for 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane?
The canonical SMILES for 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane is CC(C)=CCCC(C)=CCCC(C)=CCOC1CCCCO1.
What is the InChIKey of 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane?
The InChIKey is XPBIICJUTJFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-17(2)9-7-10-18(3)11-8-12-19(4)14-16-22-20-13-5-6-15-21-20/h9,11,14,20H,5-8,10,12-13,15-16H2,1-4H3.
What are the key properties of 2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane?
2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane 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-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane is sourced from PubChem (CID 54481143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).