3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane

C15H26O — CID 121232663

IUPAC3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
SMILESCC(C)=CCC/C(C)=C/CCC1OC1(C)C
InChIInChI=1S/C15H26O/c1-12(2)8-6-9-13(3)10-7-11-14-15(4,5)16-14/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKeyGDZKVFAAHPZNAI-JLHYYAGUSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds6

About 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane

3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane (PubChem CID 121232663) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
PubChem CID121232663
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
SMILESCC(C)=CCC/C(C)=C/CCC1OC1(C)C
InChIInChI=1S/C15H26O/c1-12(2)8-6-9-13(3)10-7-11-14-15(4,5)16-14/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKeyGDZKVFAAHPZNAI-JLHYYAGUSA-N
XLogP4.64
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
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 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
The IUPAC name of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane (CID 121232663) is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane.
What is the SMILES notation for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
The canonical SMILES for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane is CC(C)=CCC/C(C)=C/CCC1OC1(C)C.
What is the InChIKey of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
The InChIKey is GDZKVFAAHPZNAI-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)8-6-9-13(3)10-7-11-14-15(4,5)16-14/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+.
What are the key properties of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane has a molecular weight of 222.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane is sourced from PubChem (CID 121232663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).