3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one

C14H23NO3 — CID 154981439

IUPAC3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one
SMILESCC(CCCc1noc(=O)o1)CC1CCCCC1
InChIInChI=1S/C14H23NO3/c1-11(10-12-7-3-2-4-8-12)6-5-9-13-15-18-14(16)17-13/h11-12H,2-10H2,1H3
InChIKeyQWCUFFVQQOWTQJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.56
Rot. Bonds6

About 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one

3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one (PubChem CID 154981439) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one.

Molecular Properties

Compound Name3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one
PubChem CID154981439
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one
SMILESCC(CCCc1noc(=O)o1)CC1CCCCC1
InChIInChI=1S/C14H23NO3/c1-11(10-12-7-3-2-4-8-12)6-5-9-13-15-18-14(16)17-13/h11-12H,2-10H2,1H3
InChIKeyQWCUFFVQQOWTQJ-UHFFFAOYSA-N
XLogP3.56
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one?
The IUPAC name of 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one (CID 154981439) is 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one.
What is the SMILES notation for 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one?
The canonical SMILES for 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one is CC(CCCc1noc(=O)o1)CC1CCCCC1.
What is the InChIKey of 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one?
The InChIKey is QWCUFFVQQOWTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(10-12-7-3-2-4-8-12)6-5-9-13-15-18-14(16)17-13/h11-12H,2-10H2,1H3.
What are the key properties of 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one?
3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one has a molecular weight of 253.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-4-methylpentyl)-1,4,2-dioxazol-5-one is sourced from PubChem (CID 154981439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).