2-ethenyl-2-hexyloxetane

C11H20O — CID 102530736

IUPAC2-ethenyl-2-hexyloxetane
SMILESC=CC1(CCCCCC)CCO1
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-11(4-2)9-10-12-11/h4H,2-3,5-10H2,1H3
InChIKeyNTTVERIAUSKJFA-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds6

About 2-ethenyl-2-hexyloxetane

2-ethenyl-2-hexyloxetane (PubChem CID 102530736) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethenyl-2-hexyloxetane.

Molecular Properties

Compound Name2-ethenyl-2-hexyloxetane
PubChem CID102530736
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethenyl-2-hexyloxetane
SMILESC=CC1(CCCCCC)CCO1
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-11(4-2)9-10-12-11/h4H,2-3,5-10H2,1H3
InChIKeyNTTVERIAUSKJFA-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-hexyloxetane?
The IUPAC name of 2-ethenyl-2-hexyloxetane (CID 102530736) is 2-ethenyl-2-hexyloxetane.
What is the SMILES notation for 2-ethenyl-2-hexyloxetane?
The canonical SMILES for 2-ethenyl-2-hexyloxetane is C=CC1(CCCCCC)CCO1.
What is the InChIKey of 2-ethenyl-2-hexyloxetane?
The InChIKey is NTTVERIAUSKJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-6-7-8-11(4-2)9-10-12-11/h4H,2-3,5-10H2,1H3.
What are the key properties of 2-ethenyl-2-hexyloxetane?
2-ethenyl-2-hexyloxetane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-hexyloxetane is sourced from PubChem (CID 102530736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).