1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone

C11H20O2 — CID 102572284

IUPAC1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone
SMILESCC(=O)[C@]1(C)C[C@H](C(C)C)O[C@@H]1C
InChIInChI=1S/C11H20O2/c1-7(2)10-6-11(5,8(3)12)9(4)13-10/h7,9-10H,6H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyRIUOCNPYVXAKPW-MXWKQRLJSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds2

About 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone

1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone (PubChem CID 102572284) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone
PubChem CID102572284
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone
SMILESCC(=O)[C@]1(C)C[C@H](C(C)C)O[C@@H]1C
InChIInChI=1S/C11H20O2/c1-7(2)10-6-11(5,8(3)12)9(4)13-10/h7,9-10H,6H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyRIUOCNPYVXAKPW-MXWKQRLJSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone 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 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone?
The IUPAC name of 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone (CID 102572284) is 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone.
What is the SMILES notation for 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone?
The canonical SMILES for 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone is CC(=O)[C@]1(C)C[C@H](C(C)C)O[C@@H]1C.
What is the InChIKey of 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone?
The InChIKey is RIUOCNPYVXAKPW-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)10-6-11(5,8(3)12)9(4)13-10/h7,9-10H,6H2,1-5H3/t9-,10-,11+/m1/s1.
What are the key properties of 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone?
1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone is sourced from PubChem (CID 102572284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).