2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane

C11H18O — CID 59928791

IUPAC2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane
SMILESC=CC(=C)CCC1(C)OC1(C)C
InChIInChI=1S/C11H18O/c1-6-9(2)7-8-11(5)10(3,4)12-11/h6H,1-2,7-8H2,3-5H3
InChIKeyOZTAEBPCEVCFKP-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds4

About 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane

2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane (PubChem CID 59928791) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane
PubChem CID59928791
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane
SMILESC=CC(=C)CCC1(C)OC1(C)C
InChIInChI=1S/C11H18O/c1-6-9(2)7-8-11(5)10(3,4)12-11/h6H,1-2,7-8H2,3-5H3
InChIKeyOZTAEBPCEVCFKP-UHFFFAOYSA-N
XLogP3.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
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 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane?
The IUPAC name of 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane (CID 59928791) is 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane.
What is the SMILES notation for 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane?
The canonical SMILES for 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane is C=CC(=C)CCC1(C)OC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane?
The InChIKey is OZTAEBPCEVCFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-6-9(2)7-8-11(5)10(3,4)12-11/h6H,1-2,7-8H2,3-5H3.
What are the key properties of 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane?
2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3-methylidenepent-4-enyl)oxirane is sourced from PubChem (CID 59928791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).