2-(4-methoxy-2-methylpentan-2-yl)oxirane

C9H18O2 — CID 88964647

IUPAC2-(4-methoxy-2-methylpentan-2-yl)oxirane
SMILESCOC(C)CC(C)(C)C1CO1
InChIInChI=1S/C9H18O2/c1-7(10-4)5-9(2,3)8-6-11-8/h7-8H,5-6H2,1-4H3
InChIKeyNUHHPHNHPHMWKE-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-methoxy-2-methylpentan-2-yl)oxirane

2-(4-methoxy-2-methylpentan-2-yl)oxirane (PubChem CID 88964647) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylpentan-2-yl)oxirane.

Molecular Properties

Compound Name2-(4-methoxy-2-methylpentan-2-yl)oxirane
PubChem CID88964647
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(4-methoxy-2-methylpentan-2-yl)oxirane
SMILESCOC(C)CC(C)(C)C1CO1
InChIInChI=1S/C9H18O2/c1-7(10-4)5-9(2,3)8-6-11-8/h7-8H,5-6H2,1-4H3
InChIKeyNUHHPHNHPHMWKE-UHFFFAOYSA-N
XLogP1.84
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
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-(4-methoxy-2-methylpentan-2-yl)oxirane?
The IUPAC name of 2-(4-methoxy-2-methylpentan-2-yl)oxirane (CID 88964647) is 2-(4-methoxy-2-methylpentan-2-yl)oxirane.
What is the SMILES notation for 2-(4-methoxy-2-methylpentan-2-yl)oxirane?
The canonical SMILES for 2-(4-methoxy-2-methylpentan-2-yl)oxirane is COC(C)CC(C)(C)C1CO1.
What is the InChIKey of 2-(4-methoxy-2-methylpentan-2-yl)oxirane?
The InChIKey is NUHHPHNHPHMWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(10-4)5-9(2,3)8-6-11-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(4-methoxy-2-methylpentan-2-yl)oxirane?
2-(4-methoxy-2-methylpentan-2-yl)oxirane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylpentan-2-yl)oxirane is sourced from PubChem (CID 88964647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).