(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one

C16H20O3 — CID 59885970

IUPAC(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
SMILESC[C@H]1OC(=O)[C@](c2ccccc2)(C2CCCCC2)O1
InChIInChI=1S/C16H20O3/c1-12-18-15(17)16(19-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/t12-,16-/m0/s1
InChIKeyVAIJSYLOBXMTEG-LRDDRELGSA-N
MW260.33 g/mol
LogP3.38
Rot. Bonds2

About (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one

(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one (PubChem CID 59885970) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
PubChem CID59885970
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
SMILESC[C@H]1OC(=O)[C@](c2ccccc2)(C2CCCCC2)O1
InChIInChI=1S/C16H20O3/c1-12-18-15(17)16(19-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/t12-,16-/m0/s1
InChIKeyVAIJSYLOBXMTEG-LRDDRELGSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one (CID 59885970) is (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one is C[C@H]1OC(=O)[C@](c2ccccc2)(C2CCCCC2)O1.
What is the InChIKey of (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is VAIJSYLOBXMTEG-LRDDRELGSA-N. The full InChI is InChI=1S/C16H20O3/c1-12-18-15(17)16(19-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/t12-,16-/m0/s1.
What are the key properties of (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one?
(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 260.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 59885970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).