3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine

C8H12O2 — CID 549315

IUPAC3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine
SMILESCC1=COC2CCCC2O1
InChIInChI=1S/C8H12O2/c1-6-5-9-7-3-2-4-8(7)10-6/h5,7-8H,2-4H2,1H3
InChIKeyYSVNPTCFKYEDIX-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds

About 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine

3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine (PubChem CID 549315) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine.

Molecular Properties

Compound Name3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine
PubChem CID549315
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine
SMILESCC1=COC2CCCC2O1
InChIInChI=1S/C8H12O2/c1-6-5-9-7-3-2-4-8(7)10-6/h5,7-8H,2-4H2,1H3
InChIKeyYSVNPTCFKYEDIX-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[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 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine?
The IUPAC name of 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine (CID 549315) is 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine.
What is the SMILES notation for 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine?
The canonical SMILES for 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine is CC1=COC2CCCC2O1.
What is the InChIKey of 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine?
The InChIKey is YSVNPTCFKYEDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-9-7-3-2-4-8(7)10-6/h5,7-8H,2-4H2,1H3.
What are the key properties of 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine?
3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine has a molecular weight of 140.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]dioxine is sourced from PubChem (CID 549315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).