2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane

C19H32O2 — CID 11748373

IUPAC2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1OCCO1
InChIInChI=1S/C19H32O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-13-19-20-14-15-21-19/h8,10,12,19H,5-7,9,11,13-15H2,1-4H3/b17-10+,18-12+
InChIKeyIZMDWRJUQTVQFM-VZRGJMDUSA-N
MW292.46 g/mol
LogP5.56
Rot. Bonds9

About 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane

2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane (PubChem CID 11748373) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane
PubChem CID11748373
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1OCCO1
InChIInChI=1S/C19H32O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-13-19-20-14-15-21-19/h8,10,12,19H,5-7,9,11,13-15H2,1-4H3/b17-10+,18-12+
InChIKeyIZMDWRJUQTVQFM-VZRGJMDUSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.56
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-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane?
The IUPAC name of 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane (CID 11748373) is 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane?
The canonical SMILES for 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1OCCO1.
What is the InChIKey of 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane?
The InChIKey is IZMDWRJUQTVQFM-VZRGJMDUSA-N. The full InChI is InChI=1S/C19H32O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-13-19-20-14-15-21-19/h8,10,12,19H,5-7,9,11,13-15H2,1-4H3/b17-10+,18-12+.
What are the key properties of 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane?
2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane has a molecular weight of 292.46 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxolane is sourced from PubChem (CID 11748373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).