2-(5,5-dimethylhexan-3-yloxymethyl)oxirane

C11H22O2 — CID 59916957

IUPAC2-(5,5-dimethylhexan-3-yloxymethyl)oxirane
SMILESCCC(CC(C)(C)C)OCC1CO1
InChIInChI=1S/C11H22O2/c1-5-9(6-11(2,3)4)12-7-10-8-13-10/h9-10H,5-8H2,1-4H3
InChIKeyAFCLDUNYGGVWNO-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds5

About 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane

2-(5,5-dimethylhexan-3-yloxymethyl)oxirane (PubChem CID 59916957) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(5,5-dimethylhexan-3-yloxymethyl)oxirane
PubChem CID59916957
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(5,5-dimethylhexan-3-yloxymethyl)oxirane
SMILESCCC(CC(C)(C)C)OCC1CO1
InChIInChI=1S/C11H22O2/c1-5-9(6-11(2,3)4)12-7-10-8-13-10/h9-10H,5-8H2,1-4H3
InChIKeyAFCLDUNYGGVWNO-UHFFFAOYSA-N
XLogP2.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane?
The IUPAC name of 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane (CID 59916957) is 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane.
What is the SMILES notation for 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane?
The canonical SMILES for 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane is CCC(CC(C)(C)C)OCC1CO1.
What is the InChIKey of 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane?
The InChIKey is AFCLDUNYGGVWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-9(6-11(2,3)4)12-7-10-8-13-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane?
2-(5,5-dimethylhexan-3-yloxymethyl)oxirane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylhexan-3-yloxymethyl)oxirane is sourced from PubChem (CID 59916957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).