2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane

C15H26O2 — CID 928669

IUPAC2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C/C1OCC(C)(C)CO1
InChIInChI=1S/C15H26O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+
InChIKeySWMSVAUOTBOQRU-UKTHLTGXSA-N
MW238.37 g/mol
LogP4.08
Rot. Bonds4

About 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane

2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane (PubChem CID 928669) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane
PubChem CID928669
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C/C1OCC(C)(C)CO1
InChIInChI=1S/C15H26O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+
InChIKeySWMSVAUOTBOQRU-UKTHLTGXSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane (CID 928669) is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane is CC(C)=CCC/C(C)=C/C1OCC(C)(C)CO1.
What is the InChIKey of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane?
The InChIKey is SWMSVAUOTBOQRU-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+.
What are the key properties of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane?
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane has a molecular weight of 238.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 928669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).