(4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

C18H32O3 — CID 11392312

IUPAC(4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCCCC[C@@H]1CC(=O)O[C@H]1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H32O3/c1-5-6-7-14-11-17(19)21-18(14)20-16-10-13(4)8-9-15(16)12(2)3/h12-16,18H,5-11H2,1-4H3/t13-,14-,15+,16-,18-/m1/s1
InChIKeyMNABXLNNZJMSMD-XLKGFZLASA-N
MW296.45 g/mol
LogP4.54
Rot. Bonds6

About (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

(4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (PubChem CID 11392312) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
PubChem CID11392312
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCCCC[C@@H]1CC(=O)O[C@H]1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H32O3/c1-5-6-7-14-11-17(19)21-18(14)20-16-10-13(4)8-9-15(16)12(2)3/h12-16,18H,5-11H2,1-4H3/t13-,14-,15+,16-,18-/m1/s1
InChIKeyMNABXLNNZJMSMD-XLKGFZLASA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Menthyl octanoate
CID 67253664
Octadecanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 16205867
(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl decanoate
CID 12738088
(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl palmitate
CID 44144782
(1alpha,2beta,5alpha)-2-Isopropyl-5-methylcyclohexyl octanoate
CID 44147085
Menthyl heptanoate
CID 10199260
2-Isopropyl-5-methylcyclohexyl decanoate
CID 12738086
(-)-Menthyl laurate
CID 20634120
(5-Methyl-2-propan-2-ylcyclohexyl) tetradecanoate
CID 90685308
DL-Menthyl Stearate
CID 12061358
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] dodecanoate
CID 25066255
(5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 10966635

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The IUPAC name of (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (CID 11392312) is (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.
What is the SMILES notation for (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The canonical SMILES for (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is CCCC[C@@H]1CC(=O)O[C@H]1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The InChIKey is MNABXLNNZJMSMD-XLKGFZLASA-N. The full InChI is InChI=1S/C18H32O3/c1-5-6-7-14-11-17(19)21-18(14)20-16-10-13(4)8-9-15(16)12(2)3/h12-16,18H,5-11H2,1-4H3/t13-,14-,15+,16-,18-/m1/s1.
What are the key properties of (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
(4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one has a molecular weight of 296.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is sourced from PubChem (CID 11392312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).