3-methyl-3-(pent-4-enoxymethyl)oxetane

C10H18O2 — CID 154121324

IUPAC3-methyl-3-(pent-4-enoxymethyl)oxetane
SMILESC=CCCCOCC1(C)COC1
InChIInChI=1S/C10H18O2/c1-3-4-5-6-11-7-10(2)8-12-9-10/h3H,1,4-9H2,2H3
InChIKeyDQISWQYRBSAAFP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.01
Rot. Bonds6

About 3-methyl-3-(pent-4-enoxymethyl)oxetane

3-methyl-3-(pent-4-enoxymethyl)oxetane (PubChem CID 154121324) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-3-(pent-4-enoxymethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(pent-4-enoxymethyl)oxetane
PubChem CID154121324
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-3-(pent-4-enoxymethyl)oxetane
SMILESC=CCCCOCC1(C)COC1
InChIInChI=1S/C10H18O2/c1-3-4-5-6-11-7-10(2)8-12-9-10/h3H,1,4-9H2,2H3
InChIKeyDQISWQYRBSAAFP-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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-enoxymethyl)oxetane?
The IUPAC name of 3-methyl-3-(pent-4-enoxymethyl)oxetane (CID 154121324) is 3-methyl-3-(pent-4-enoxymethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(pent-4-enoxymethyl)oxetane?
The canonical SMILES for 3-methyl-3-(pent-4-enoxymethyl)oxetane is C=CCCCOCC1(C)COC1.
What is the InChIKey of 3-methyl-3-(pent-4-enoxymethyl)oxetane?
The InChIKey is DQISWQYRBSAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-11-7-10(2)8-12-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 3-methyl-3-(pent-4-enoxymethyl)oxetane?
3-methyl-3-(pent-4-enoxymethyl)oxetane has a molecular weight of 170.25 g/mol, XLogP of 2.01, 6 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-enoxymethyl)oxetane is sourced from PubChem (CID 154121324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).