2-(oct-7-enoxymethyl)oxirane

C11H20O2 — CID 22934454

IUPAC2-(oct-7-enoxymethyl)oxirane
SMILESC=CCCCCCCOCC1CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h2,11H,1,3-10H2
InChIKeyKQKBAYFDIJFAOO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds9

About 2-(oct-7-enoxymethyl)oxirane

2-(oct-7-enoxymethyl)oxirane (PubChem CID 22934454) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(oct-7-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(oct-7-enoxymethyl)oxirane
PubChem CID22934454
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(oct-7-enoxymethyl)oxirane
SMILESC=CCCCCCCOCC1CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h2,11H,1,3-10H2
InChIKeyKQKBAYFDIJFAOO-UHFFFAOYSA-N
XLogP2.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
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-(oct-7-enoxymethyl)oxirane?
The IUPAC name of 2-(oct-7-enoxymethyl)oxirane (CID 22934454) is 2-(oct-7-enoxymethyl)oxirane.
What is the SMILES notation for 2-(oct-7-enoxymethyl)oxirane?
The canonical SMILES for 2-(oct-7-enoxymethyl)oxirane is C=CCCCCCCOCC1CO1.
What is the InChIKey of 2-(oct-7-enoxymethyl)oxirane?
The InChIKey is KQKBAYFDIJFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h2,11H,1,3-10H2.
What are the key properties of 2-(oct-7-enoxymethyl)oxirane?
2-(oct-7-enoxymethyl)oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oct-7-enoxymethyl)oxirane is sourced from PubChem (CID 22934454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).