(2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one

C16H26O4Si — CID 10935824

IUPAC(2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one
SMILESCCOC(C)O[C@H]1C=CC(=O)[C@@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C16H26O4Si/c1-6-18-13(2)19-16-11-10-14(17)15(20-16)9-7-8-12-21(3,4)5/h10-11,13,15-16H,6-7,9H2,1-5H3/t13?,15-,16-/m1/s1
InChIKeyRBBJROAVDLZUSX-GNHXQJIDSA-N
MW310.47 g/mol
LogP2.90
Rot. Bonds6

About (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one

(2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one (PubChem CID 10935824) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one
PubChem CID10935824
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name(2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one
SMILESCCOC(C)O[C@H]1C=CC(=O)[C@@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C16H26O4Si/c1-6-18-13(2)19-16-11-10-14(17)15(20-16)9-7-8-12-21(3,4)5/h10-11,13,15-16H,6-7,9H2,1-5H3/t13?,15-,16-/m1/s1
InChIKeyRBBJROAVDLZUSX-GNHXQJIDSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6S)-2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-yn-3-yl]oxy-6-methyl-2H-pyran-5-one
CID 11024242
(2R,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one
CID 11781875
[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
CID 101131965

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one?
The IUPAC name of (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one (CID 10935824) is (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one is CCOC(C)O[C@H]1C=CC(=O)[C@@H](CCC#C[Si](C)(C)C)O1.
What is the InChIKey of (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one?
The InChIKey is RBBJROAVDLZUSX-GNHXQJIDSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-6-18-13(2)19-16-11-10-14(17)15(20-16)9-7-8-12-21(3,4)5/h10-11,13,15-16H,6-7,9H2,1-5H3/t13?,15-,16-/m1/s1.
What are the key properties of (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one?
(2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one has a molecular weight of 310.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one is sourced from PubChem (CID 10935824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).