2-(3-methoxybutyl)-3-methyloxirane

C8H16O2 — CID 88560295

IUPAC2-(3-methoxybutyl)-3-methyloxirane
SMILESCOC(C)CCC1OC1C
InChIInChI=1S/C8H16O2/c1-6(9-3)4-5-8-7(2)10-8/h6-8H,4-5H2,1-3H3
InChIKeyQBBLFWPAJITHEH-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-methoxybutyl)-3-methyloxirane

2-(3-methoxybutyl)-3-methyloxirane (PubChem CID 88560295) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(3-methoxybutyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(3-methoxybutyl)-3-methyloxirane
PubChem CID88560295
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(3-methoxybutyl)-3-methyloxirane
SMILESCOC(C)CCC1OC1C
InChIInChI=1S/C8H16O2/c1-6(9-3)4-5-8-7(2)10-8/h6-8H,4-5H2,1-3H3
InChIKeyQBBLFWPAJITHEH-UHFFFAOYSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
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-(3-methoxybutyl)-3-methyloxirane?
The IUPAC name of 2-(3-methoxybutyl)-3-methyloxirane (CID 88560295) is 2-(3-methoxybutyl)-3-methyloxirane.
What is the SMILES notation for 2-(3-methoxybutyl)-3-methyloxirane?
The canonical SMILES for 2-(3-methoxybutyl)-3-methyloxirane is COC(C)CCC1OC1C.
What is the InChIKey of 2-(3-methoxybutyl)-3-methyloxirane?
The InChIKey is QBBLFWPAJITHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(9-3)4-5-8-7(2)10-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(3-methoxybutyl)-3-methyloxirane?
2-(3-methoxybutyl)-3-methyloxirane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybutyl)-3-methyloxirane is sourced from PubChem (CID 88560295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).