2-(3-methylbut-2-enoxymethyl)oxirane

C8H14O2 — CID 15580333

IUPAC2-(3-methylbut-2-enoxymethyl)oxirane
SMILESCC(C)=CCOCC1CO1
InChIInChI=1S/C8H14O2/c1-7(2)3-4-9-5-8-6-10-8/h3,8H,4-6H2,1-2H3
InChIKeyJAODNRXGOWZYRO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds4

About 2-(3-methylbut-2-enoxymethyl)oxirane

2-(3-methylbut-2-enoxymethyl)oxirane (PubChem CID 15580333) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxymethyl)oxirane
PubChem CID15580333
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(3-methylbut-2-enoxymethyl)oxirane
SMILESCC(C)=CCOCC1CO1
InChIInChI=1S/C8H14O2/c1-7(2)3-4-9-5-8-6-10-8/h3,8H,4-6H2,1-2H3
InChIKeyJAODNRXGOWZYRO-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(3-methylbut-2-enoxymethyl)oxirane?
The IUPAC name of 2-(3-methylbut-2-enoxymethyl)oxirane (CID 15580333) is 2-(3-methylbut-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-(3-methylbut-2-enoxymethyl)oxirane?
The canonical SMILES for 2-(3-methylbut-2-enoxymethyl)oxirane is CC(C)=CCOCC1CO1.
What is the InChIKey of 2-(3-methylbut-2-enoxymethyl)oxirane?
The InChIKey is JAODNRXGOWZYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)3-4-9-5-8-6-10-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxymethyl)oxirane?
2-(3-methylbut-2-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxymethyl)oxirane is sourced from PubChem (CID 15580333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).