(1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane

C8H14O2 — CID 10080510

IUPAC(1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC[C@@]12CCC[C@@](C)(OC1)O2
InChIInChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyAZWKCIZRVUVZPX-SFYZADRCSA-N
MW142.20 g/mol
LogP1.69
Rot. Bonds

About (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane

(1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 10080510) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID10080510
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC[C@@]12CCC[C@@](C)(OC1)O2
InChIInChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyAZWKCIZRVUVZPX-SFYZADRCSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane (CID 10080510) is (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane is C[C@@]12CCC[C@@](C)(OC1)O2.
What is the InChIKey of (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is AZWKCIZRVUVZPX-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
(1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 142.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 10080510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).