2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane

C10H18O2 — CID 151976365

IUPAC2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane
SMILESCCC(COC=C(C)C)C1CO1
InChIInChI=1S/C10H18O2/c1-4-9(10-7-12-10)6-11-5-8(2)3/h5,9-10H,4,6-7H2,1-3H3
InChIKeyUBTCAOWPNKFGAG-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

About 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane

2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane (PubChem CID 151976365) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane
PubChem CID151976365
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane
SMILESCCC(COC=C(C)C)C1CO1
InChIInChI=1S/C10H18O2/c1-4-9(10-7-12-10)6-11-5-8(2)3/h5,9-10H,4,6-7H2,1-3H3
InChIKeyUBTCAOWPNKFGAG-UHFFFAOYSA-N
XLogP2.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Methylprop-1-enoxy)propan-2-yl]oxirane
CID 149723118
2-(1-Prop-1-enoxypentan-3-yl)oxirane
CID 149823673
2-(1-Prop-1-enoxypentan-2-yl)oxirane
CID 149992988
2-(4-Prop-1-enoxybutan-2-yl)oxirane
CID 150088170
2-[3-(2-Methylprop-1-enoxy)propyl]oxirane
CID 150134576
2-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151531127
2-[1-(2-Methylprop-1-enoxy)pentan-3-yl]oxirane
CID 151716142
2-(1-Prop-1-enoxybutan-2-yl)oxirane
CID 154281524
4-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604502
3-[1-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176604867

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane (CID 151976365) is 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane is CCC(COC=C(C)C)C1CO1.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane?
The InChIKey is UBTCAOWPNKFGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9(10-7-12-10)6-11-5-8(2)3/h5,9-10H,4,6-7H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane?
2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)butan-2-yl]oxirane is sourced from PubChem (CID 151976365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).