2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane

C24H40O2 — CID 10451180

IUPAC2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCC1OCCO1
InChIInChI=1S/C24H40O2/c1-20(2)10-8-13-22(4)15-9-14-21(3)11-6-7-12-23(5)16-17-24-25-18-19-26-24/h10-12,15,24H,6-9,13-14,16-19H2,1-5H3/b21-11+,22-15+,23-12+
InChIKeyWNVGUQJBYOSQLY-AOFQEBBSSA-N
MW360.58 g/mol
LogP7.29
Rot. Bonds12

About 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane

2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane (PubChem CID 10451180) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane
PubChem CID10451180
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCC1OCCO1
InChIInChI=1S/C24H40O2/c1-20(2)10-8-13-22(4)15-9-14-21(3)11-6-7-12-23(5)16-17-24-25-18-19-26-24/h10-12,15,24H,6-9,13-14,16-19H2,1-5H3/b21-11+,22-15+,23-12+
InChIKeyWNVGUQJBYOSQLY-AOFQEBBSSA-N
XLogP7.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane?
The IUPAC name of 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane (CID 10451180) is 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane?
The canonical SMILES for 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCC1OCCO1.
What is the InChIKey of 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane?
The InChIKey is WNVGUQJBYOSQLY-AOFQEBBSSA-N. The full InChI is InChI=1S/C24H40O2/c1-20(2)10-8-13-22(4)15-9-14-21(3)11-6-7-12-23(5)16-17-24-25-18-19-26-24/h10-12,15,24H,6-9,13-14,16-19H2,1-5H3/b21-11+,22-15+,23-12+.
What are the key properties of 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane?
2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane has a molecular weight of 360.58 g/mol, XLogP of 7.29, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3-dioxolane is sourced from PubChem (CID 10451180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).