2-(1-prop-1-enoxybutan-2-yl)oxirane

C9H16O2 — CID 154281524

IUPAC2-(1-prop-1-enoxybutan-2-yl)oxirane
SMILESCC=COCC(CC)C1CO1
InChIInChI=1S/C9H16O2/c1-3-5-10-6-8(4-2)9-7-11-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyFAMMMRACDVIMJW-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.96
Rot. Bonds5

About 2-(1-prop-1-enoxybutan-2-yl)oxirane

2-(1-prop-1-enoxybutan-2-yl)oxirane (PubChem CID 154281524) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(1-prop-1-enoxybutan-2-yl)oxirane.

Molecular Properties

Compound Name2-(1-prop-1-enoxybutan-2-yl)oxirane
PubChem CID154281524
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name2-(1-prop-1-enoxybutan-2-yl)oxirane
SMILESCC=COCC(CC)C1CO1
InChIInChI=1S/C9H16O2/c1-3-5-10-6-8(4-2)9-7-11-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyFAMMMRACDVIMJW-UHFFFAOYSA-N
XLogP1.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-1-enoxybutan-2-yl)oxirane?
The IUPAC name of 2-(1-prop-1-enoxybutan-2-yl)oxirane (CID 154281524) is 2-(1-prop-1-enoxybutan-2-yl)oxirane.
What is the SMILES notation for 2-(1-prop-1-enoxybutan-2-yl)oxirane?
The canonical SMILES for 2-(1-prop-1-enoxybutan-2-yl)oxirane is CC=COCC(CC)C1CO1.
What is the InChIKey of 2-(1-prop-1-enoxybutan-2-yl)oxirane?
The InChIKey is FAMMMRACDVIMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-10-6-8(4-2)9-7-11-9/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 2-(1-prop-1-enoxybutan-2-yl)oxirane?
2-(1-prop-1-enoxybutan-2-yl)oxirane has a molecular weight of 156.23 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-1-enoxybutan-2-yl)oxirane is sourced from PubChem (CID 154281524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).