3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene

C9H12O — CID 22965769

IUPAC3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene
SMILESCC=C1CC2C=CC(C1)O2
InChIInChI=1S/C9H12O/c1-2-7-5-8-3-4-9(6-7)10-8/h2-4,8-9H,5-6H2,1H3
InChIKeyHOUHGCNEZPMZCQ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.05
Rot. Bonds

About 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene

3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene (PubChem CID 22965769) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene
PubChem CID22965769
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene
SMILESCC=C1CC2C=CC(C1)O2
InChIInChI=1S/C9H12O/c1-2-7-5-8-3-4-9(6-7)10-8/h2-4,8-9H,5-6H2,1H3
InChIKeyHOUHGCNEZPMZCQ-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.05
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

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CID 21606187
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(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
(2R)-3-methyl-2-(3-methylbut-3-enyl)-2,5-dihydrofuran
CID 163015296
8-Oxabicyclo(3.2.1)oct-3-ene
CID 18413946
2-Ethyl-4-methyl-3,6-dihydropyran
CID 12347116
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
2-Butyl-4-methyl-3,6-dihydro-2h-pyran
CID 12503535
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-
CID 11708083
(2R)-2-(cyclohexen-1-yl)-2,5-dihydrofuran
CID 10012080

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene (CID 22965769) is 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene is CC=C1CC2C=CC(C1)O2.
What is the InChIKey of 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene?
The InChIKey is HOUHGCNEZPMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-7-5-8-3-4-9(6-7)10-8/h2-4,8-9H,5-6H2,1H3.
What are the key properties of 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene?
3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene has a molecular weight of 136.19 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-8-oxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 22965769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).