2-[3-(2-methylprop-1-enoxy)propyl]oxirane

C9H16O2 — CID 150134576

IUPAC2-[3-(2-methylprop-1-enoxy)propyl]oxirane
SMILESCC(C)=COCCCC1CO1
InChIInChI=1S/C9H16O2/c1-8(2)6-10-5-3-4-9-7-11-9/h6,9H,3-5,7H2,1-2H3
InChIKeyFBYULBPVTJMXFR-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds5

About 2-[3-(2-methylprop-1-enoxy)propyl]oxirane

2-[3-(2-methylprop-1-enoxy)propyl]oxirane (PubChem CID 150134576) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[3-(2-methylprop-1-enoxy)propyl]oxirane.

Molecular Properties

Compound Name2-[3-(2-methylprop-1-enoxy)propyl]oxirane
PubChem CID150134576
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[3-(2-methylprop-1-enoxy)propyl]oxirane
SMILESCC(C)=COCCCC1CO1
InChIInChI=1S/C9H16O2/c1-8(2)6-10-5-3-4-9-7-11-9/h6,9H,3-5,7H2,1-2H3
InChIKeyFBYULBPVTJMXFR-UHFFFAOYSA-N
XLogP2.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-Bis(2-methylprop-1-enoxy)pentane
CID 87660189
2-(1-Prop-1-enoxypentan-3-yl)oxirane
CID 149823673
2-(4-Prop-1-enoxybutan-2-yl)oxirane
CID 150088170
2-[1-(2-Methylprop-1-enoxy)pentan-3-yl]oxirane
CID 151716142
2-[1-(2-Methylprop-1-enoxy)butan-2-yl]oxirane
CID 151976365
2-(3-Prop-1-enoxypropyl)oxirane
CID 152455650
2-[3-[(E)-prop-1-enoxy]propyl]oxirane
CID 176603243
2-[3-(Cyclopentylidenemethoxy)propyl]oxirane
CID 176605295

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
The IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxirane (CID 150134576) is 2-[3-(2-methylprop-1-enoxy)propyl]oxirane.
What is the SMILES notation for 2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
The canonical SMILES for 2-[3-(2-methylprop-1-enoxy)propyl]oxirane is CC(C)=COCCCC1CO1.
What is the InChIKey of 2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
The InChIKey is FBYULBPVTJMXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)6-10-5-3-4-9-7-11-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
2-[3-(2-methylprop-1-enoxy)propyl]oxirane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-1-enoxy)propyl]oxirane is sourced from PubChem (CID 150134576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).