3-oxabicyclo[3.3.1]non-1-ene

C8H12O — CID 138454734

IUPAC3-oxabicyclo[3.3.1]non-1-ene
SMILESC1=C2CCCC(CO1)C2
InChIInChI=1S/C8H12O/c1-2-7-4-8(3-1)6-9-5-7/h5,8H,1-4,6H2
InChIKeyFOJDJZQTQWDSHG-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.09
Rot. Bonds

About 3-oxabicyclo[3.3.1]non-1-ene

3-oxabicyclo[3.3.1]non-1-ene (PubChem CID 138454734) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-oxabicyclo[3.3.1]non-1-ene.

Molecular Properties

Compound Name3-oxabicyclo[3.3.1]non-1-ene
PubChem CID138454734
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-oxabicyclo[3.3.1]non-1-ene
SMILESC1=C2CCCC(CO1)C2
InChIInChI=1S/C8H12O/c1-2-7-4-8(3-1)6-9-5-7/h5,8H,1-4,6H2
InChIKeyFOJDJZQTQWDSHG-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 17907433
3,5-diethyl-3,4-dihydro-2H-pyran
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1-(Methoxymethyl)-3-methylidenecyclohexane
CID 91104201
1-Methylidene-4-(sulfanyloxymethyl)cyclohexane
CID 139571178
1-(Methoxymethyl)-4-(methoxymethylidene)cyclohexane
CID 139615355
1-(Ethenoxymethyl)-4-methylidenecyclohexane
CID 150549096
1-(Ethenoxymethyl)-3-methylidenecyclohexane
CID 152260993
2-Cyclohexyl-1,4-dioxine
CID 154003167
{[(2-Ethylhexyl)oxy]methylidene}cyclohexane
CID 71421228
1,4,5,6,7,7a-Hexahydro-2-benzofuran
CID 165005111

Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[3.3.1]non-1-ene?
The IUPAC name of 3-oxabicyclo[3.3.1]non-1-ene (CID 138454734) is 3-oxabicyclo[3.3.1]non-1-ene.
What is the SMILES notation for 3-oxabicyclo[3.3.1]non-1-ene?
The canonical SMILES for 3-oxabicyclo[3.3.1]non-1-ene is C1=C2CCCC(CO1)C2.
What is the InChIKey of 3-oxabicyclo[3.3.1]non-1-ene?
The InChIKey is FOJDJZQTQWDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-7-4-8(3-1)6-9-5-7/h5,8H,1-4,6H2.
What are the key properties of 3-oxabicyclo[3.3.1]non-1-ene?
3-oxabicyclo[3.3.1]non-1-ene has a molecular weight of 124.18 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.3.1]non-1-ene is sourced from PubChem (CID 138454734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).