5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane

C10H18O2 — CID 545115

IUPAC5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCCC12OCC(O1)C(C)CC2C
InChIInChI=1S/C10H18O2/c1-4-10-8(3)5-7(2)9(12-10)6-11-10/h7-9H,4-6H2,1-3H3
InChIKeyYMBRJMLOGNZRFY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.18
Rot. Bonds1

About 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane

5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 545115) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID545115
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCCC12OCC(O1)C(C)CC2C
InChIInChI=1S/C10H18O2/c1-4-10-8(3)5-7(2)9(12-10)6-11-10/h7-9H,4-6H2,1-3H3
InChIKeyYMBRJMLOGNZRFY-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2,4-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 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane (CID 545115) is 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane is CCC12OCC(O1)C(C)CC2C.
What is the InChIKey of 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is YMBRJMLOGNZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-10-8(3)5-7(2)9(12-10)6-11-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 170.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 545115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).