2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane

C15H24O — CID 5362910

IUPAC2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane
SMILESC=C(CC/C=C(\C)CCC=C(C)C)C1CO1
InChIInChI=1S/C15H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)15-11-16-15/h7,9,15H,4-6,8,10-11H2,1-3H3/b13-9+
InChIKeyHNYSBTOKKSTMIG-UKTHLTGXSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds7

About 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane

2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane (PubChem CID 5362910) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane.

Molecular Properties

Compound Name2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane
PubChem CID5362910
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane
SMILESC=C(CC/C=C(\C)CCC=C(C)C)C1CO1
InChIInChI=1S/C15H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)15-11-16-15/h7,9,15H,4-6,8,10-11H2,1-3H3/b13-9+
InChIKeyHNYSBTOKKSTMIG-UKTHLTGXSA-N
XLogP4.41
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane?
The IUPAC name of 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane (CID 5362910) is 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane.
What is the SMILES notation for 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane?
The canonical SMILES for 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane is C=C(CC/C=C(\C)CCC=C(C)C)C1CO1.
What is the InChIKey of 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane?
The InChIKey is HNYSBTOKKSTMIG-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)15-11-16-15/h7,9,15H,4-6,8,10-11H2,1-3H3/b13-9+.
What are the key properties of 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane?
2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane has a molecular weight of 220.36 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane is sourced from PubChem (CID 5362910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).