2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane

C17H30O2 — CID 86011637

IUPAC2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane
SMILESCCCC1OC(CCC2CC=CCC2)OCC1CC
InChIInChI=1S/C17H30O2/c1-3-8-16-15(4-2)13-18-17(19-16)12-11-14-9-6-5-7-10-14/h5-6,14-17H,3-4,7-13H2,1-2H3
InChIKeyWGUNQWWXNZUYPU-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.69
Rot. Bonds6

About 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane

2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane (PubChem CID 86011637) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane
PubChem CID86011637
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane
SMILESCCCC1OC(CCC2CC=CCC2)OCC1CC
InChIInChI=1S/C17H30O2/c1-3-8-16-15(4-2)13-18-17(19-16)12-11-14-9-6-5-7-10-14/h5-6,14-17H,3-4,7-13H2,1-2H3
InChIKeyWGUNQWWXNZUYPU-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
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-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane?
The IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane (CID 86011637) is 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane?
The canonical SMILES for 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane is CCCC1OC(CCC2CC=CCC2)OCC1CC.
What is the InChIKey of 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane?
The InChIKey is WGUNQWWXNZUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-8-16-15(4-2)13-18-17(19-16)12-11-14-9-6-5-7-10-14/h5-6,14-17H,3-4,7-13H2,1-2H3.
What are the key properties of 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane?
2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane has a molecular weight of 266.42 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-ylethyl)-5-ethyl-4-propyl-1,3-dioxane is sourced from PubChem (CID 86011637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).