(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde

C16H30O4Si — CID 10380950

IUPAC(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESC[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=O
InChIInChI=1S/C16H30O4Si/c1-13-6-7-15(20-16(13)10-17)14(2)11-19-12-18-8-9-21(3,4)5/h6-7,10,13-16H,8-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1
InChIKeyGZPHCNMXRMCNLH-JONQDZQNSA-N
MW314.50 g/mol
LogP3.11
Rot. Bonds9

About (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde

(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 10380950) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID10380950
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESC[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=O
InChIInChI=1S/C16H30O4Si/c1-13-6-7-15(20-16(13)10-17)14(2)11-19-12-18-8-9-21(3,4)5/h6-7,10,13-16H,8-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1
InChIKeyGZPHCNMXRMCNLH-JONQDZQNSA-N
XLogP3.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde 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 (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 10380950) is (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde is C[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=O.
What is the InChIKey of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is GZPHCNMXRMCNLH-JONQDZQNSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-13-6-7-15(20-16(13)10-17)14(2)11-19-12-18-8-9-21(3,4)5/h6-7,10,13-16H,8-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1.
What are the key properties of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde?
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 314.50 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 10380950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).