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

C19H26O3 — CID 10542412

IUPAC(2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCCCC2)O1
InChIInChI=1S/C19H26O3/c1-18(2,3)17-21-16(20)19(22-17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4,6-7,10-11,15,17H,5,8-9,12-13H2,1-3H3/t17-,19-/m0/s1
InChIKeyCICIFEMCFDCMNM-HKUYNNGSSA-N
MW302.41 g/mol
LogP4.41
Rot. Bonds2

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

(2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one (PubChem CID 10542412) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one
PubChem CID10542412
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCCCC2)O1
InChIInChI=1S/C19H26O3/c1-18(2,3)17-21-16(20)19(22-17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4,6-7,10-11,15,17H,5,8-9,12-13H2,1-3H3/t17-,19-/m0/s1
InChIKeyCICIFEMCFDCMNM-HKUYNNGSSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one with MolForge

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Related Compounds

Ethoxydiphenylacetic acid
CID 24119
2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one
CID 5271556
Ethyl 3,3-diphenyloxirane-2-carboxylate
CID 226164
Cyclohexyl(ethoxy)phenylacetic acid
CID 207940
(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic Anhydride
CID 14984591
Methyl 2-(1-methoxy-1-oxo-2-phenylpropan-2-yl)oxy-2-methylpropanoate
CID 12282954
2-[Carboxy(diphenyl)methoxy]-2-methylpropanoic acid
CID 12282955
1-(1-Carboxy-1-phenylethoxy)cyclohexane-1-carboxylic acid
CID 12282961
(R)-5-Phenyl-1,3-dioxolane-2,4-dione
CID 6452960
(2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one
CID 67565248
3-Phenyl-1,4-dioxaspiro[4.5]decan-2-one
CID 225561
Methanone, phenyl(4-phenyl-1,3-dioxolan-4-yl)-
CID 3089168

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one (CID 10542412) is (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one is CC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCCCC2)O1.
What is the InChIKey of (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is CICIFEMCFDCMNM-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H26O3/c1-18(2,3)17-21-16(20)19(22-17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4,6-7,10-11,15,17H,5,8-9,12-13H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one?
(2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 302.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-tert-butyl-5-cyclohexyl-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 10542412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).