2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane

C11H18O — CID 86072221

IUPAC2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane
SMILESC=CCC(C)(CC=C)CC1CO1
InChIInChI=1S/C11H18O/c1-4-6-11(3,7-5-2)8-10-9-12-10/h4-5,10H,1-2,6-9H2,3H3
InChIKeyMUIQVSDYSAWRLF-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds6

About 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane

2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane (PubChem CID 86072221) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane.

Molecular Properties

Compound Name2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane
PubChem CID86072221
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane
SMILESC=CCC(C)(CC=C)CC1CO1
InChIInChI=1S/C11H18O/c1-4-6-11(3,7-5-2)8-10-9-12-10/h4-5,10H,1-2,6-9H2,3H3
InChIKeyMUIQVSDYSAWRLF-UHFFFAOYSA-N
XLogP2.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
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-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane?
The IUPAC name of 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane (CID 86072221) is 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane.
What is the SMILES notation for 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane?
The canonical SMILES for 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane is C=CCC(C)(CC=C)CC1CO1.
What is the InChIKey of 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane?
The InChIKey is MUIQVSDYSAWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-11(3,7-5-2)8-10-9-12-10/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane?
2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane has a molecular weight of 166.26 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-prop-2-enylpent-4-enyl)oxirane is sourced from PubChem (CID 86072221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).