2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane

C15H30O2 — CID 90239347

IUPAC2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane
SMILESCC(C)CCCC(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C15H30O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h12-14H,6-11H2,1-5H3
InChIKeyPJFVQWMNQBMJSF-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.24
Rot. Bonds6

About 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane

2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane (PubChem CID 90239347) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane
PubChem CID90239347
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane
SMILESCC(C)CCCC(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C15H30O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h12-14H,6-11H2,1-5H3
InChIKeyPJFVQWMNQBMJSF-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane (CID 90239347) is 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane is CC(C)CCCC(C)CC1OCC(C)(C)CO1.
What is the InChIKey of 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is PJFVQWMNQBMJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane?
2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 242.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 90239347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).