7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine

C10H16O2 — CID 163888507

IUPAC7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine
SMILESCC1CCC2=C(CC1)OCCO2
InChIInChI=1S/C10H16O2/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h8H,2-7H2,1H3
InChIKeyPZNANCBKOALLQF-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds

About 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine

7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine (PubChem CID 163888507) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine.

Molecular Properties

Compound Name7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine
PubChem CID163888507
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine
SMILESCC1CCC2=C(CC1)OCCO2
InChIInChI=1S/C10H16O2/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h8H,2-7H2,1H3
InChIKeyPZNANCBKOALLQF-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine 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 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine?
The IUPAC name of 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine (CID 163888507) is 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine.
What is the SMILES notation for 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine?
The canonical SMILES for 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine is CC1CCC2=C(CC1)OCCO2.
What is the InChIKey of 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine?
The InChIKey is PZNANCBKOALLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h8H,2-7H2,1H3.
What are the key properties of 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine?
7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine has a molecular weight of 168.24 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b][1,4]dioxine is sourced from PubChem (CID 163888507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).