2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene

C9H14O — CID 142316522

IUPAC2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCCC1=C(C)C2CCC1O2
InChIInChI=1S/C9H14O/c1-3-7-6(2)8-4-5-9(7)10-8/h8-9H,3-5H2,1-2H3
InChIKeyAYIMHWGDYGXQLY-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds1

About 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene

2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 142316522) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID142316522
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCCC1=C(C)C2CCC1O2
InChIInChI=1S/C9H14O/c1-3-7-6(2)8-4-5-9(7)10-8/h8-9H,3-5H2,1-2H3
InChIKeyAYIMHWGDYGXQLY-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[3-(trimethylsilylmethyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]methyl]silane
CID 23039784
2,3-bis(phosphorosomethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 123624248
methyl 3-methyl-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 147502721
2,3,4,5-tetraethyl-2,5-dihydrofuran
CID 22165884
2-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]acetonitrile
CID 70421038
5-(4-ethylphenyl)oxolane-2-carbaldehyde
CID 130584532
(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
CID 124921984
3-chloro-2-ethyl-1-methylcyclohexene
CID 146174789
3,8-dioxabicyclo[3.2.1]octane-2,4-dione
CID 13425799
4,10-dioxatricyclo[5.2.1.02,6]dec-2(6)-ene
CID 143326200
2-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 23039782
3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690186

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene (CID 142316522) is 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene is CCC1=C(C)C2CCC1O2.
What is the InChIKey of 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is AYIMHWGDYGXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-7-6(2)8-4-5-9(7)10-8/h8-9H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 138.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 142316522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).