2-(5-cyclohexyloxypentyl)-1,4-dioxine

C15H24O3 — CID 174849528

IUPAC2-(5-cyclohexyloxypentyl)-1,4-dioxine
SMILESC1=COC(CCCCCOC2CCCCC2)=CO1
InChIInChI=1S/C15H24O3/c1-3-7-14(8-4-1)17-10-6-2-5-9-15-13-16-11-12-18-15/h11-14H,1-10H2
InChIKeyUDURPIXBSHMSKS-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.26
Rot. Bonds7

About 2-(5-cyclohexyloxypentyl)-1,4-dioxine

2-(5-cyclohexyloxypentyl)-1,4-dioxine (PubChem CID 174849528) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(5-cyclohexyloxypentyl)-1,4-dioxine.

Molecular Properties

Compound Name2-(5-cyclohexyloxypentyl)-1,4-dioxine
PubChem CID174849528
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(5-cyclohexyloxypentyl)-1,4-dioxine
SMILESC1=COC(CCCCCOC2CCCCC2)=CO1
InChIInChI=1S/C15H24O3/c1-3-7-14(8-4-1)17-10-6-2-5-9-15-13-16-11-12-18-15/h11-14H,1-10H2
InChIKeyUDURPIXBSHMSKS-UHFFFAOYSA-N
XLogP4.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-cyclohexyloxypentyl)-1,4-dioxine?
The IUPAC name of 2-(5-cyclohexyloxypentyl)-1,4-dioxine (CID 174849528) is 2-(5-cyclohexyloxypentyl)-1,4-dioxine.
What is the SMILES notation for 2-(5-cyclohexyloxypentyl)-1,4-dioxine?
The canonical SMILES for 2-(5-cyclohexyloxypentyl)-1,4-dioxine is C1=COC(CCCCCOC2CCCCC2)=CO1.
What is the InChIKey of 2-(5-cyclohexyloxypentyl)-1,4-dioxine?
The InChIKey is UDURPIXBSHMSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-7-14(8-4-1)17-10-6-2-5-9-15-13-16-11-12-18-15/h11-14H,1-10H2.
What are the key properties of 2-(5-cyclohexyloxypentyl)-1,4-dioxine?
2-(5-cyclohexyloxypentyl)-1,4-dioxine has a molecular weight of 252.35 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyloxypentyl)-1,4-dioxine is sourced from PubChem (CID 174849528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).