2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane

C15H24O — CID 72663083

IUPAC2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane
SMILESC=CC1(CCC=C(C)CCC=C(C)C)CO1
InChIInChI=1S/C15H24O/c1-5-15(12-16-15)11-7-10-14(4)9-6-8-13(2)3/h5,8,10H,1,6-7,9,11-12H2,2-4H3
InChIKeyVZRPLUCPCYSAHJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds7

About 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane

2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane (PubChem CID 72663083) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane.

Molecular Properties

Compound Name2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane
PubChem CID72663083
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane
SMILESC=CC1(CCC=C(C)CCC=C(C)C)CO1
InChIInChI=1S/C15H24O/c1-5-15(12-16-15)11-7-10-14(4)9-6-8-13(2)3/h5,8,10H,1,6-7,9,11-12H2,2-4H3
InChIKeyVZRPLUCPCYSAHJ-UHFFFAOYSA-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-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane?
The IUPAC name of 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane (CID 72663083) is 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane.
What is the SMILES notation for 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane?
The canonical SMILES for 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane is C=CC1(CCC=C(C)CCC=C(C)C)CO1.
What is the InChIKey of 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane?
The InChIKey is VZRPLUCPCYSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-15(12-16-15)11-7-10-14(4)9-6-8-13(2)3/h5,8,10H,1,6-7,9,11-12H2,2-4H3.
What are the key properties of 2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane?
2-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane 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-(4,8-dimethylnona-3,7-dienyl)-2-ethenyloxirane is sourced from PubChem (CID 72663083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).