2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane

C10H16O — CID 71441709

IUPAC2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane
SMILESC=C(C)C=CCC1(C)OC1C
InChIInChI=1S/C10H16O/c1-8(2)6-5-7-10(4)9(3)11-10/h5-6,9H,1,7H2,2-4H3
InChIKeyFDZVPGIFEBSXGG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds3

About 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane

2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane (PubChem CID 71441709) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane
PubChem CID71441709
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane
SMILESC=C(C)C=CCC1(C)OC1C
InChIInChI=1S/C10H16O/c1-8(2)6-5-7-10(4)9(3)11-10/h5-6,9H,1,7H2,2-4H3
InChIKeyFDZVPGIFEBSXGG-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane?
The IUPAC name of 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane (CID 71441709) is 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane.
What is the SMILES notation for 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane?
The canonical SMILES for 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane is C=C(C)C=CCC1(C)OC1C.
What is the InChIKey of 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane?
The InChIKey is FDZVPGIFEBSXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)6-5-7-10(4)9(3)11-10/h5-6,9H,1,7H2,2-4H3.
What are the key properties of 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane?
2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(4-methylpenta-2,4-dienyl)oxirane is sourced from PubChem (CID 71441709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).