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

C17H30O2 — CID 6437636

IUPAC2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(/C=C(\C)CCC=C(C)C)OC1
InChIInChI=1S/C17H30O2/c1-6-10-17(5)12-18-16(19-13-17)11-15(4)9-7-8-14(2)3/h8,11,16H,6-7,9-10,12-13H2,1-5H3/b15-11+
InChIKeyRIIZJSVMCGCUBU-RVDMUPIBSA-N
MW266.42 g/mol
LogP4.86
Rot. Bonds6

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

2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane (PubChem CID 6437636) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane
PubChem CID6437636
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(/C=C(\C)CCC=C(C)C)OC1
InChIInChI=1S/C17H30O2/c1-6-10-17(5)12-18-16(19-13-17)11-15(4)9-7-8-14(2)3/h8,11,16H,6-7,9-10,12-13H2,1-5H3/b15-11+
InChIKeyRIIZJSVMCGCUBU-RVDMUPIBSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.86
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-methyl-5-propyl-1,3-dioxane?
The IUPAC name of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane (CID 6437636) is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane is CCCC1(C)COC(/C=C(\C)CCC=C(C)C)OC1.
What is the InChIKey of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane?
The InChIKey is RIIZJSVMCGCUBU-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-10-17(5)12-18-16(19-13-17)11-15(4)9-7-8-14(2)3/h8,11,16H,6-7,9-10,12-13H2,1-5H3/b15-11+.
What are the key properties of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane?
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-methyl-5-propyl-1,3-dioxane has a molecular weight of 266.42 g/mol, XLogP of 4.86, 6 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-methyl-5-propyl-1,3-dioxane is sourced from PubChem (CID 6437636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).