2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane

C17H29FO2 — CID 22876097

IUPAC2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane
SMILESCCCCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C17H29FO2/c1-2-3-4-5-15-12-19-17(20-13-15)11-8-14-6-9-16(18)10-7-14/h9,14-15,17H,2-8,10-13H2,1H3
InChIKeyKYXDHGJFVNJCOP-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.99
Rot. Bonds7

About 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane

2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane (PubChem CID 22876097) has the molecular formula C17H29FO2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane
PubChem CID22876097
Molecular FormulaC17H29FO2
Molecular Weight284.41 g/mol
Exact Mass284.22
IUPAC Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane
SMILESCCCCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C17H29FO2/c1-2-3-4-5-15-12-19-17(20-13-15)11-8-14-6-9-16(18)10-7-14/h9,14-15,17H,2-8,10-13H2,1H3
InChIKeyKYXDHGJFVNJCOP-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane?
The IUPAC name of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane (CID 22876097) is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane.
What is the SMILES notation for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane?
The canonical SMILES for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane is CCCCCC1COC(CCC2CC=C(F)CC2)OC1.
What is the InChIKey of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane?
The InChIKey is KYXDHGJFVNJCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FO2/c1-2-3-4-5-15-12-19-17(20-13-15)11-8-14-6-9-16(18)10-7-14/h9,14-15,17H,2-8,10-13H2,1H3.
What are the key properties of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane?
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane has a molecular weight of 284.41 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pentyl-1,3-dioxane is sourced from PubChem (CID 22876097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).