5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene

C9H12O — CID 173060819

IUPAC5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene
SMILESCCC12C=C3OC3(CC1)C2
InChIInChI=1S/C9H12O/c1-2-8-3-4-9(6-8)7(5-8)10-9/h5H,2-4,6H2,1H3
InChIKeyIWWSCORJNAAMBJ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.23
Rot. Bonds1

About 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene

5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene (PubChem CID 173060819) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene.

Molecular Properties

Compound Name5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene
PubChem CID173060819
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene
SMILESCCC12C=C3OC3(CC1)C2
InChIInChI=1S/C9H12O/c1-2-8-3-4-9(6-8)7(5-8)10-9/h5H,2-4,6H2,1H3
InChIKeyIWWSCORJNAAMBJ-UHFFFAOYSA-N
XLogP2.23
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 173366830
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CID 172628700
4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine
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5,5-dimethyl-2-propyl-4H-1,3-oxazole
CID 15535721
1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene
CID 101126503
3,3,5,5-tetraethylcyclopentene
CID 141036060
3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane
CID 101228583
1-ethyl-3,3-dimethylcyclohexene
CID 142138224
4-ethylpiperidine-4-carbonitrile;hydrochloride
CID 75531112
9,9-diethoxy-3-methyl-1-oxaspiro[4.4]non-3-en-2-one
CID 101405553
2-amino-1,2-diethylcyclopropan-1-ol
CID 91099069
3,3-diethyl-6,6,9,9-tetramethyl-1,2,4,5-tetraoxonane
CID 71387490

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene?
The IUPAC name of 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene (CID 173060819) is 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene.
What is the SMILES notation for 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene?
The canonical SMILES for 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene is CCC12C=C3OC3(CC1)C2.
What is the InChIKey of 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene?
The InChIKey is IWWSCORJNAAMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-8-3-4-9(6-8)7(5-8)10-9/h5H,2-4,6H2,1H3.
What are the key properties of 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene?
5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene has a molecular weight of 136.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene is sourced from PubChem (CID 173060819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).