3-oxabicyclo[3.2.1]octane;hydrochloride

C7H13ClO — CID 118591405

IUPAC3-oxabicyclo[3.2.1]octane;hydrochloride
SMILESC1CC2COCC1C2.Cl
InChIInChI=1S/C7H12O.ClH/c1-2-7-3-6(1)4-8-5-7;/h6-7H,1-5H2;1H
InChIKeyAWAOARJXLIMZPS-UHFFFAOYSA-N
MW148.63 g/mol
LogP1.85
Rot. Bonds

About 3-oxabicyclo[3.2.1]octane;hydrochloride

3-oxabicyclo[3.2.1]octane;hydrochloride (PubChem CID 118591405) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 3-oxabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-oxabicyclo[3.2.1]octane;hydrochloride
PubChem CID118591405
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name3-oxabicyclo[3.2.1]octane;hydrochloride
SMILESC1CC2COCC1C2.Cl
InChIInChI=1S/C7H12O.ClH/c1-2-7-3-6(1)4-8-5-7;/h6-7H,1-5H2;1H
InChIKeyAWAOARJXLIMZPS-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 172754322
4-oxa-1-azabicyclo[4.2.2]decane
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CID 69055097
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
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Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-oxabicyclo[3.2.1]octane;hydrochloride (CID 118591405) is 3-oxabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-oxabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-oxabicyclo[3.2.1]octane;hydrochloride is C1CC2COCC1C2.Cl.
What is the InChIKey of 3-oxabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is AWAOARJXLIMZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.ClH/c1-2-7-3-6(1)4-8-5-7;/h6-7H,1-5H2;1H.
What are the key properties of 3-oxabicyclo[3.2.1]octane;hydrochloride?
3-oxabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 148.63 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 118591405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).