3-ethyl-3-pent-4-enoxyoxetane

C10H18O2 — CID 118482971

IUPAC3-ethyl-3-pent-4-enoxyoxetane
SMILESC=CCCCOC1(CC)COC1
InChIInChI=1S/C10H18O2/c1-3-5-6-7-12-10(4-2)8-11-9-10/h3H,1,4-9H2,2H3
InChIKeyXAKUNBVEQNUMLM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds6

About 3-ethyl-3-pent-4-enoxyoxetane

3-ethyl-3-pent-4-enoxyoxetane (PubChem CID 118482971) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-3-pent-4-enoxyoxetane.

Molecular Properties

Compound Name3-ethyl-3-pent-4-enoxyoxetane
PubChem CID118482971
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-3-pent-4-enoxyoxetane
SMILESC=CCCCOC1(CC)COC1
InChIInChI=1S/C10H18O2/c1-3-5-6-7-12-10(4-2)8-11-9-10/h3H,1,4-9H2,2H3
InChIKeyXAKUNBVEQNUMLM-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
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-ethyl-3-pent-4-enoxyoxetane?
The IUPAC name of 3-ethyl-3-pent-4-enoxyoxetane (CID 118482971) is 3-ethyl-3-pent-4-enoxyoxetane.
What is the SMILES notation for 3-ethyl-3-pent-4-enoxyoxetane?
The canonical SMILES for 3-ethyl-3-pent-4-enoxyoxetane is C=CCCCOC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-pent-4-enoxyoxetane?
The InChIKey is XAKUNBVEQNUMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-7-12-10(4-2)8-11-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 3-ethyl-3-pent-4-enoxyoxetane?
3-ethyl-3-pent-4-enoxyoxetane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-pent-4-enoxyoxetane is sourced from PubChem (CID 118482971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).