1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C8H10O — CID 22121529

IUPAC1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCCC12C=CC=CC1O2
InChIInChI=1S/C8H10O/c1-2-8-6-4-3-5-7(8)9-8/h3-7H,2H2,1H3
InChIKeySJWKDXPDDXULJS-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds1

About 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 22121529) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID22121529
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCCC12C=CC=CC1O2
InChIInChI=1S/C8H10O/c1-2-8-6-4-3-5-7(8)9-8/h3-7H,2H2,1H3
InChIKeySJWKDXPDDXULJS-UHFFFAOYSA-N
XLogP1.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
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

1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 86735268
7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylphosphane
CID 141189920
N-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-amine
CID 175236340
1-(1-fluoropropoxy)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 86584814
7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol;titanium
CID 174857221
6-chloro-6-ethylcyclohexa-2,4-dien-1-ol
CID 154395848
(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol
CID 175335226
3,4a-dimethyl-2,3,4,8a-tetrahydrochromene
CID 146246430
1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 70477137
1-nitro-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 141316475
(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
CID 175591671
CID 173460801
CID 173460801

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 22121529) is 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CCC12C=CC=CC1O2.
What is the InChIKey of 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is SJWKDXPDDXULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-8-6-4-3-5-7(8)9-8/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 22121529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).