2-(2-butoxyethyl)-2-methyloxirane

C9H18O2 — CID 58453482

IUPAC2-(2-butoxyethyl)-2-methyloxirane
SMILESCCCCOCCC1(C)CO1
InChIInChI=1S/C9H18O2/c1-3-4-6-10-7-5-9(2)8-11-9/h3-8H2,1-2H3
InChIKeyOLBWMCXZUQUQGX-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds6

About 2-(2-butoxyethyl)-2-methyloxirane

2-(2-butoxyethyl)-2-methyloxirane (PubChem CID 58453482) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(2-butoxyethyl)-2-methyloxirane
PubChem CID58453482
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(2-butoxyethyl)-2-methyloxirane
SMILESCCCCOCCC1(C)CO1
InChIInChI=1S/C9H18O2/c1-3-4-6-10-7-5-9(2)8-11-9/h3-8H2,1-2H3
InChIKeyOLBWMCXZUQUQGX-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-butoxyethyl)-2-methyloxirane?
The IUPAC name of 2-(2-butoxyethyl)-2-methyloxirane (CID 58453482) is 2-(2-butoxyethyl)-2-methyloxirane.
What is the SMILES notation for 2-(2-butoxyethyl)-2-methyloxirane?
The canonical SMILES for 2-(2-butoxyethyl)-2-methyloxirane is CCCCOCCC1(C)CO1.
What is the InChIKey of 2-(2-butoxyethyl)-2-methyloxirane?
The InChIKey is OLBWMCXZUQUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-6-10-7-5-9(2)8-11-9/h3-8H2,1-2H3.
What are the key properties of 2-(2-butoxyethyl)-2-methyloxirane?
2-(2-butoxyethyl)-2-methyloxirane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-2-methyloxirane is sourced from PubChem (CID 58453482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).