1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene

C10H16O — CID 6430761

IUPAC1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene
SMILESCC12CC=C(CC1)C(C)(C)O2
InChIInChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4H,5-7H2,1-3H3
InChIKeyCAEVFYKCVGNSKS-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds

About 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene

1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene (PubChem CID 6430761) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene.

Molecular Properties

Compound Name1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene
PubChem CID6430761
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene
SMILESCC12CC=C(CC1)C(C)(C)O2
InChIInChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4H,5-7H2,1-3H3
InChIKeyCAEVFYKCVGNSKS-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene?
The IUPAC name of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene (CID 6430761) is 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene.
What is the SMILES notation for 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene?
The canonical SMILES for 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene is CC12CC=C(CC1)C(C)(C)O2.
What is the InChIKey of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene?
The InChIKey is CAEVFYKCVGNSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4H,5-7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene?
1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene has a molecular weight of 152.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-4-ene is sourced from PubChem (CID 6430761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).