5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene

C10H16O2 — CID 58385668

IUPAC5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOC(C)(C)C1CC2C=CC1O2
InChIInChI=1S/C10H16O2/c1-10(2,11-3)8-6-7-4-5-9(8)12-7/h4-5,7-9H,6H2,1-3H3
InChIKeyZDIMWVAQSVUTTE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.75
Rot. Bonds2

About 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene

5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 58385668) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID58385668
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOC(C)(C)C1CC2C=CC1O2
InChIInChI=1S/C10H16O2/c1-10(2,11-3)8-6-7-4-5-9(8)12-7/h4-5,7-9H,6H2,1-3H3
InChIKeyZDIMWVAQSVUTTE-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 58385668) is 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene is COC(C)(C)C1CC2C=CC1O2.
What is the InChIKey of 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is ZDIMWVAQSVUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2,11-3)8-6-7-4-5-9(8)12-7/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene?
5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 168.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58385668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).