7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane

C10H16O — CID 102173210

IUPAC7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
SMILESC=CC1CC2CCCC1(C)O2
InChIInChI=1S/C10H16O/c1-3-8-7-9-5-4-6-10(8,2)11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBHSZJNQJEUVXDZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds1

About 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane

7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane (PubChem CID 102173210) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
PubChem CID102173210
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
SMILESC=CC1CC2CCCC1(C)O2
InChIInChI=1S/C10H16O/c1-3-8-7-9-5-4-6-10(8,2)11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBHSZJNQJEUVXDZ-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane (CID 102173210) is 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane is C=CC1CC2CCCC1(C)O2.
What is the InChIKey of 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is BHSZJNQJEUVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-8-7-9-5-4-6-10(8,2)11-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane?
7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 102173210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).