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

C18H32O4 — CID 15444780

IUPAC(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCCCCO[C@@H]1CC(=O)O[C@H]1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H32O4/c1-5-6-9-20-16-11-17(19)22-18(16)21-15-10-13(4)7-8-14(15)12(2)3/h12-16,18H,5-11H2,1-4H3/t13-,14+,15-,16-,18-/m1/s1
InChIKeyIRRKUBSTEDICTM-ORDFZIBCSA-N
MW312.45 g/mol
LogP3.92
Rot. Bonds7

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

(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (PubChem CID 15444780) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
PubChem CID15444780
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCCCCO[C@@H]1CC(=O)O[C@H]1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H32O4/c1-5-6-9-20-16-11-17(19)22-18(16)21-15-10-13(4)7-8-14(15)12(2)3/h12-16,18H,5-11H2,1-4H3/t13-,14+,15-,16-,18-/m1/s1
InChIKeyIRRKUBSTEDICTM-ORDFZIBCSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R,5R)-4-butoxy-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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The IUPAC name of (4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (CID 15444780) is (4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.
What is the SMILES notation for (4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The canonical SMILES for (4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is CCCCO[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-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The InChIKey is IRRKUBSTEDICTM-ORDFZIBCSA-N. The full InChI is InChI=1S/C18H32O4/c1-5-6-9-20-16-11-17(19)22-18(16)21-15-10-13(4)7-8-14(15)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-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one has a molecular weight of 312.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is sourced from PubChem (CID 15444780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).