3-methyl-3-pent-4-enoxyoxetane

C9H16O2 — CID 118482951

IUPAC3-methyl-3-pent-4-enoxyoxetane
SMILESC=CCCCOC1(C)COC1
InChIInChI=1S/C9H16O2/c1-3-4-5-6-11-9(2)7-10-8-9/h3H,1,4-8H2,2H3
InChIKeyNLKBVGCJVUWEAD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds5

About 3-methyl-3-pent-4-enoxyoxetane

3-methyl-3-pent-4-enoxyoxetane (PubChem CID 118482951) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methyl-3-pent-4-enoxyoxetane.

Molecular Properties

Compound Name3-methyl-3-pent-4-enoxyoxetane
PubChem CID118482951
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methyl-3-pent-4-enoxyoxetane
SMILESC=CCCCOC1(C)COC1
InChIInChI=1S/C9H16O2/c1-3-4-5-6-11-9(2)7-10-8-9/h3H,1,4-8H2,2H3
InChIKeyNLKBVGCJVUWEAD-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pent-4-enoxyoxetane?
The IUPAC name of 3-methyl-3-pent-4-enoxyoxetane (CID 118482951) is 3-methyl-3-pent-4-enoxyoxetane.
What is the SMILES notation for 3-methyl-3-pent-4-enoxyoxetane?
The canonical SMILES for 3-methyl-3-pent-4-enoxyoxetane is C=CCCCOC1(C)COC1.
What is the InChIKey of 3-methyl-3-pent-4-enoxyoxetane?
The InChIKey is NLKBVGCJVUWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-6-11-9(2)7-10-8-9/h3H,1,4-8H2,2H3.
What are the key properties of 3-methyl-3-pent-4-enoxyoxetane?
3-methyl-3-pent-4-enoxyoxetane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pent-4-enoxyoxetane is sourced from PubChem (CID 118482951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).