ethane;7-oxabicyclo[2.2.1]hept-2-ene

C8H14O — CID 144567615

IUPACethane;7-oxabicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1O2.CC
InChIInChI=1S/C6H8O.C2H6/c1-2-6-4-3-5(1)7-6;1-2/h1-2,5-6H,3-4H2;1-2H3
InChIKeyHYINPMLYZGHZBQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds

About ethane;7-oxabicyclo[2.2.1]hept-2-ene

ethane;7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 144567615) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Nameethane;7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID144567615
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameethane;7-oxabicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1O2.CC
InChIInChI=1S/C6H8O.C2H6/c1-2-6-4-3-5(1)7-6;1-2/h1-2,5-6H,3-4H2;1-2H3
InChIKeyHYINPMLYZGHZBQ-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;7-oxabicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclopentene, 3,3'-oxybis-
CID 27061
3-Methoxycyclohex-1-ene
CID 137685
7-Oxabicyclo(2.2.1)hept-2-ene, 5,6-bis(methylene)-
CID 143374
9-Oxabicyclo(4.2.1)nona-2,4-diene
CID 140579
Bicyclo(2.2.1)hept-2-ene, 7-oxa-
CID 138813
8-Oxabicyclo(3.2.1)oct-3-ene
CID 18413946
3-Ethoxycyclohexene
CID 285902
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
3,3'-Oxydi(cyclohex-1-ene)
CID 12322414
2-(2-Methylprop-1-enyl)tetrahydrofuran
CID 12735917
3-(Propan-2-yloxy)cyclohexene
CID 230450
2-Butyl-4-prop-2-enyl-2,5-dihydrofuran
CID 11052025

Frequently Asked Questions

What is the IUPAC name of ethane;7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of ethane;7-oxabicyclo[2.2.1]hept-2-ene (CID 144567615) is ethane;7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for ethane;7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for ethane;7-oxabicyclo[2.2.1]hept-2-ene is C1=CC2CCC1O2.CC.
What is the InChIKey of ethane;7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is HYINPMLYZGHZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C2H6/c1-2-6-4-3-5(1)7-6;1-2/h1-2,5-6H,3-4H2;1-2H3.
What are the key properties of ethane;7-oxabicyclo[2.2.1]hept-2-ene?
ethane;7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 126.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 144567615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).