(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene

C8H12O — CID 125480691

IUPAC(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC[C@@]12CC=CC[C@@H]1O2
InChIInChI=1S/C8H12O/c1-2-8-6-4-3-5-7(8)9-8/h3-4,7H,2,5-6H2,1H3/t7-,8+/m0/s1
InChIKeyUFLPXZUUPFUXPF-JGVFFNPUSA-N
MW124.18 g/mol
LogP1.88
Rot. Bonds1

About (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene

(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 125480691) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID125480691
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC[C@@]12CC=CC[C@@H]1O2
InChIInChI=1S/C8H12O/c1-2-8-6-4-3-5-7(8)9-8/h3-4,7H,2,5-6H2,1H3/t7-,8+/m0/s1
InChIKeyUFLPXZUUPFUXPF-JGVFFNPUSA-N
XLogP1.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
7-oxabicyclo[4.1.0]hept-3-ene-1-carbaldehyde
CID 12662091
4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene
CID 12536948
2-ethyl-3,6-dihydro-2H-pyran
CID 20692458
(1S)-1-ethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87456882
(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene
CID 145019487
6,6-dipropylcyclohex-3-en-1-ol
CID 101312190
6-cyclohex-3-en-1-yl-6-ethyl-2,2-dimethyloxasilinane
CID 174766137
1-ethylcyclopent-3-ene-1-carbonyl chloride
CID 178083189
(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane
CID 145019486
2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
CID 91549224
(1R,6S)-6-ethylcyclohex-3-en-1-amine
CID 129102540

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene (CID 125480691) is (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene is CC[C@@]12CC=CC[C@@H]1O2.
What is the InChIKey of (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is UFLPXZUUPFUXPF-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H12O/c1-2-8-6-4-3-5-7(8)9-8/h3-4,7H,2,5-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene?
(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 124.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 125480691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).