2-[2-(2-methylprop-1-enoxy)ethyl]oxirane

C8H14O2 — CID 176604308

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]oxirane
SMILESCC(C)=COCCC1CO1
InChIInChI=1S/C8H14O2/c1-7(2)5-9-4-3-8-6-10-8/h5,8H,3-4,6H2,1-2H3
InChIKeyWZKKRSAZPPIWTF-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds4

About 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane

2-[2-(2-methylprop-1-enoxy)ethyl]oxirane (PubChem CID 176604308) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]oxirane
PubChem CID176604308
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]oxirane
SMILESCC(C)=COCCC1CO1
InChIInChI=1S/C8H14O2/c1-7(2)5-9-4-3-8-6-10-8/h5,8H,3-4,6H2,1-2H3
InChIKeyWZKKRSAZPPIWTF-UHFFFAOYSA-N
XLogP1.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
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

2-(2-Methylprop-1-enoxymethyl)oxirane
CID 23043125
2-(2-Prop-1-enoxyethyl)oxirane
CID 53632972
1,3-Bis(2-methylprop-1-enoxy)butane
CID 87658980
2-[2-(3-Methylbuta-1,3-dienoxy)ethyl]oxirane
CID 89757982
2-[1-(2-Methylprop-1-enoxy)propan-2-yl]oxirane
CID 149723118
2-(1-Prop-1-enoxypropan-2-yl)oxirane
CID 149825797
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxirane
CID 149853181
2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176603662
2-[1-(2-Methylprop-1-enoxy)ethyl]oxirane
CID 176604373

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane (CID 176604308) is 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane is CC(C)=COCCC1CO1.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane?
The InChIKey is WZKKRSAZPPIWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)5-9-4-3-8-6-10-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane?
2-[2-(2-methylprop-1-enoxy)ethyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enoxy)ethyl]oxirane is sourced from PubChem (CID 176604308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).