2-ethenyl-2-(4-methylpent-3-enyl)oxirane

C10H16O — CID 11744821

IUPAC2-ethenyl-2-(4-methylpent-3-enyl)oxirane
SMILESC=CC1(CCC=C(C)C)CO1
InChIInChI=1S/C10H16O/c1-4-10(8-11-10)7-5-6-9(2)3/h4,6H,1,5,7-8H2,2-3H3
InChIKeyLLKLWIXSUNDIKM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds4

About 2-ethenyl-2-(4-methylpent-3-enyl)oxirane

2-ethenyl-2-(4-methylpent-3-enyl)oxirane (PubChem CID 11744821) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethenyl-2-(4-methylpent-3-enyl)oxirane.

Molecular Properties

Compound Name2-ethenyl-2-(4-methylpent-3-enyl)oxirane
PubChem CID11744821
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-ethenyl-2-(4-methylpent-3-enyl)oxirane
SMILESC=CC1(CCC=C(C)C)CO1
InChIInChI=1S/C10H16O/c1-4-10(8-11-10)7-5-6-9(2)3/h4,6H,1,5,7-8H2,2-3H3
InChIKeyLLKLWIXSUNDIKM-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': '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-ethenyl-2-(4-methylpent-3-enyl)oxirane?
The IUPAC name of 2-ethenyl-2-(4-methylpent-3-enyl)oxirane (CID 11744821) is 2-ethenyl-2-(4-methylpent-3-enyl)oxirane.
What is the SMILES notation for 2-ethenyl-2-(4-methylpent-3-enyl)oxirane?
The canonical SMILES for 2-ethenyl-2-(4-methylpent-3-enyl)oxirane is C=CC1(CCC=C(C)C)CO1.
What is the InChIKey of 2-ethenyl-2-(4-methylpent-3-enyl)oxirane?
The InChIKey is LLKLWIXSUNDIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-10(8-11-10)7-5-6-9(2)3/h4,6H,1,5,7-8H2,2-3H3.
What are the key properties of 2-ethenyl-2-(4-methylpent-3-enyl)oxirane?
2-ethenyl-2-(4-methylpent-3-enyl)oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-(4-methylpent-3-enyl)oxirane is sourced from PubChem (CID 11744821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).