[(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate

C13H20O4 — CID 71050625

IUPAC[(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate
SMILESCC(=O)OC1=CC(OC(C)=O)[C@@H](C(C)C)CC1
InChIInChI=1S/C13H20O4/c1-8(2)12-6-5-11(16-9(3)14)7-13(12)17-10(4)15/h7-8,12-13H,5-6H2,1-4H3/t12-,13?/m1/s1
InChIKeyQVRWUFQLYCDUGT-PZORYLMUSA-N
MW240.30 g/mol
LogP2.43
Rot. Bonds3

About [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate

[(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate (PubChem CID 71050625) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate
PubChem CID71050625
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate
SMILESCC(=O)OC1=CC(OC(C)=O)[C@@H](C(C)C)CC1
InChIInChI=1S/C13H20O4/c1-8(2)12-6-5-11(16-9(3)14)7-13(12)17-10(4)15/h7-8,12-13H,5-6H2,1-4H3/t12-,13?/m1/s1
InChIKeyQVRWUFQLYCDUGT-PZORYLMUSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate 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 [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate?
The IUPAC name of [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate (CID 71050625) is [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate is CC(=O)OC1=CC(OC(C)=O)[C@@H](C(C)C)CC1.
What is the InChIKey of [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate?
The InChIKey is QVRWUFQLYCDUGT-PZORYLMUSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)12-6-5-11(16-9(3)14)7-13(12)17-10(4)15/h7-8,12-13H,5-6H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate?
[(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate has a molecular weight of 240.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 71050625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).