3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane

C14H22O2 — CID 143809165

IUPAC3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane
SMILESCCC1(COCC2=CC=CC(C)C2)COC1
InChIInChI=1S/C14H22O2/c1-3-14(10-16-11-14)9-15-8-13-6-4-5-12(2)7-13/h4-6,12H,3,7-11H2,1-2H3
InChIKeyHPNWGUPJJLWTRZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.95
Rot. Bonds5

About 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane

3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane (PubChem CID 143809165) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane
PubChem CID143809165
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane
SMILESCCC1(COCC2=CC=CC(C)C2)COC1
InChIInChI=1S/C14H22O2/c1-3-14(10-16-11-14)9-15-8-13-6-4-5-12(2)7-13/h4-6,12H,3,7-11H2,1-2H3
InChIKeyHPNWGUPJJLWTRZ-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane (CID 143809165) is 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane is CCC1(COCC2=CC=CC(C)C2)COC1.
What is the InChIKey of 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane?
The InChIKey is HPNWGUPJJLWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-14(10-16-11-14)9-15-8-13-6-4-5-12(2)7-13/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane?
3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane has a molecular weight of 222.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(5-methylcyclohexa-1,3-dien-1-yl)methoxymethyl]oxetane is sourced from PubChem (CID 143809165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).