6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one

C14H20O4 — CID 11459407

IUPAC6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)C2CCCCC2)O1
InChIInChI=1S/C14H20O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeySVWINQKPOOXLDQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.72
Rot. Bonds3

About 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one

6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11459407) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID11459407
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)C2CCCCC2)O1
InChIInChI=1S/C14H20O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeySVWINQKPOOXLDQ-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one (CID 11459407) is 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(=O)C2CCCCC2)O1.
What is the InChIKey of 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is SVWINQKPOOXLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 252.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11459407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).