4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]

C17H26O4 — CID 21422030

IUPAC4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]
SMILESCC1CC2OC2CC1C1OCC2(CO1)CC1OC1CC2C
InChIInChI=1S/C17H26O4/c1-9-3-12-14(20-12)5-11(9)16-18-7-17(8-19-16)6-15-13(21-15)4-10(17)2/h9-16H,3-8H2,1-2H3
InChIKeyXXODDXTYRBCYCM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.36
Rot. Bonds1

About 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]

4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane] (PubChem CID 21422030) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane].

Molecular Properties

Compound Name4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]
PubChem CID21422030
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]
SMILESCC1CC2OC2CC1C1OCC2(CO1)CC1OC1CC2C
InChIInChI=1S/C17H26O4/c1-9-3-12-14(20-12)5-11(9)16-18-7-17(8-19-16)6-15-13(21-15)4-10(17)2/h9-16H,3-8H2,1-2H3
InChIKeyXXODDXTYRBCYCM-UHFFFAOYSA-N
XLogP2.36
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane] 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 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]?
The IUPAC name of 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane] (CID 21422030) is 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane].
What is the SMILES notation for 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]?
The canonical SMILES for 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane] is CC1CC2OC2CC1C1OCC2(CO1)CC1OC1CC2C.
What is the InChIKey of 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]?
The InChIKey is XXODDXTYRBCYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-9-3-12-14(20-12)5-11(9)16-18-7-17(8-19-16)6-15-13(21-15)4-10(17)2/h9-16H,3-8H2,1-2H3.
What are the key properties of 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]?
4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane] has a molecular weight of 294.39 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane] is sourced from PubChem (CID 21422030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).