2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane

C15H28O2 — CID 13471392

IUPAC2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane
SMILESCC(C)=CCCC(C)CC1OC(C)CC(C)O1
InChIInChI=1S/C15H28O2/c1-11(2)7-6-8-12(3)9-15-16-13(4)10-14(5)17-15/h7,12-15H,6,8-10H2,1-5H3
InChIKeyMYWFOIALQRLQJJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds5

About 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane

2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane (PubChem CID 13471392) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane
PubChem CID13471392
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane
SMILESCC(C)=CCCC(C)CC1OC(C)CC(C)O1
InChIInChI=1S/C15H28O2/c1-11(2)7-6-8-12(3)9-15-16-13(4)10-14(5)17-15/h7,12-15H,6,8-10H2,1-5H3
InChIKeyMYWFOIALQRLQJJ-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane 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 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane (CID 13471392) is 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane is CC(C)=CCCC(C)CC1OC(C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane?
The InChIKey is MYWFOIALQRLQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11(2)7-6-8-12(3)9-15-16-13(4)10-14(5)17-15/h7,12-15H,6,8-10H2,1-5H3.
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane?
2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 13471392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).