1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one

C11H18O3 — CID 11252604

IUPAC1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CC=C[C@@H](OC(C)C)O1
InChIInChI=1S/C11H18O3/c1-8(2)13-11-6-4-5-10(14-11)7-9(3)12/h4,6,8,10-11H,5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeySPUZAXJFPZFVNV-QWRGUYRKSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds4

About 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one

1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one (PubChem CID 11252604) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one
PubChem CID11252604
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CC=C[C@@H](OC(C)C)O1
InChIInChI=1S/C11H18O3/c1-8(2)13-11-6-4-5-10(14-11)7-9(3)12/h4,6,8,10-11H,5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeySPUZAXJFPZFVNV-QWRGUYRKSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-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 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one (CID 11252604) is 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one is CC(=O)C[C@@H]1CC=C[C@@H](OC(C)C)O1.
What is the InChIKey of 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one?
The InChIKey is SPUZAXJFPZFVNV-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)13-11-6-4-5-10(14-11)7-9(3)12/h4,6,8,10-11H,5,7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one?
1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one has a molecular weight of 198.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one is sourced from PubChem (CID 11252604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).