(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane

C6H10O3 — CID 71445982

IUPAC(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
SMILESC[C@]12COC[C@H](CO1)O2
InChIInChI=1S/C6H10O3/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyZYYRPZUNVFRMSX-RITPCOANSA-N
MW130.14 g/mol
LogP0.15
Rot. Bonds

About (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane

(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane (PubChem CID 71445982) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
PubChem CID71445982
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
SMILESC[C@]12COC[C@H](CO1)O2
InChIInChI=1S/C6H10O3/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyZYYRPZUNVFRMSX-RITPCOANSA-N
XLogP0.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane (CID 71445982) is (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane is C[C@]12COC[C@H](CO1)O2.
What is the InChIKey of (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane?
The InChIKey is ZYYRPZUNVFRMSX-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O3/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane?
(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane has a molecular weight of 130.14 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane is sourced from PubChem (CID 71445982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).