1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone

C12H22O2Sn — CID 59138386

IUPAC1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone
SMILESCC(=O)[C@H]1OC([Sn](C)(C)C)=C[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H13O2.3CH3.Sn/c1-6-4-5-11-9(7(6)2)8(3)10;;;;/h4,6-7,9H,1-3H3;3*1H3;/t6-,7+,9+;;;;/m1..../s1
InChIKeyHBFDOUURIXIXTD-YWAXXLFPSA-N
MW317.02 g/mol
LogP3.01
Rot. Bonds2

About 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone

1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone (PubChem CID 59138386) has the molecular formula C12H22O2Sn and a molecular weight of 317.02 g/mol. Its IUPAC name is 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone
PubChem CID59138386
Molecular FormulaC12H22O2Sn
Molecular Weight317.02 g/mol
Exact Mass318.06
IUPAC Name1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone
SMILESCC(=O)[C@H]1OC([Sn](C)(C)C)=C[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H13O2.3CH3.Sn/c1-6-4-5-11-9(7(6)2)8(3)10;;;;/h4,6-7,9H,1-3H3;3*1H3;/t6-,7+,9+;;;;/m1..../s1
InChIKeyHBFDOUURIXIXTD-YWAXXLFPSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-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-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone?
The IUPAC name of 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone (CID 59138386) is 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone is CC(=O)[C@H]1OC([Sn](C)(C)C)=C[C@@H](C)[C@@H]1C.
What is the InChIKey of 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone?
The InChIKey is HBFDOUURIXIXTD-YWAXXLFPSA-N. The full InChI is InChI=1S/C9H13O2.3CH3.Sn/c1-6-4-5-11-9(7(6)2)8(3)10;;;;/h4,6-7,9H,1-3H3;3*1H3;/t6-,7+,9+;;;;/m1..../s1.
What are the key properties of 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone?
1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone has a molecular weight of 317.02 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4S)-3,4-dimethyl-6-trimethylstannyl-3,4-dihydro-2H-pyran-2-yl]ethanone is sourced from PubChem (CID 59138386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).