3-ethyl-3-(3-methylpent-4-enoxy)oxetane

C11H20O2 — CID 118482967

IUPAC3-ethyl-3-(3-methylpent-4-enoxy)oxetane
SMILESC=CC(C)CCOC1(CC)COC1
InChIInChI=1S/C11H20O2/c1-4-10(3)6-7-13-11(5-2)8-12-9-11/h4,10H,1,5-9H2,2-3H3
InChIKeyKNZYCLQBTLUVCX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds6

About 3-ethyl-3-(3-methylpent-4-enoxy)oxetane

3-ethyl-3-(3-methylpent-4-enoxy)oxetane (PubChem CID 118482967) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethyl-3-(3-methylpent-4-enoxy)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(3-methylpent-4-enoxy)oxetane
PubChem CID118482967
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethyl-3-(3-methylpent-4-enoxy)oxetane
SMILESC=CC(C)CCOC1(CC)COC1
InChIInChI=1S/C11H20O2/c1-4-10(3)6-7-13-11(5-2)8-12-9-11/h4,10H,1,5-9H2,2-3H3
InChIKeyKNZYCLQBTLUVCX-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(3-methylpent-4-enoxy)oxetane?
The IUPAC name of 3-ethyl-3-(3-methylpent-4-enoxy)oxetane (CID 118482967) is 3-ethyl-3-(3-methylpent-4-enoxy)oxetane.
What is the SMILES notation for 3-ethyl-3-(3-methylpent-4-enoxy)oxetane?
The canonical SMILES for 3-ethyl-3-(3-methylpent-4-enoxy)oxetane is C=CC(C)CCOC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(3-methylpent-4-enoxy)oxetane?
The InChIKey is KNZYCLQBTLUVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-10(3)6-7-13-11(5-2)8-12-9-11/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 3-ethyl-3-(3-methylpent-4-enoxy)oxetane?
3-ethyl-3-(3-methylpent-4-enoxy)oxetane has a molecular weight of 184.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(3-methylpent-4-enoxy)oxetane is sourced from PubChem (CID 118482967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).