(2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol

C10H20O2Si — CID 58581959

IUPAC(2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol
SMILES[3H]OC[C@H](C)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-9(8-11)10(12)6-5-7-13(2,3)4/h9-12H,6,8H2,1-4H3/t9-,10+/m0/s1/i11T
InChIKeyCUXDYTBZBMROGK-ZOHMOBRSSA-N
MW202.36 g/mol
LogP1.25
Rot. Bonds4

About (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol

(2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol (PubChem CID 58581959) has the molecular formula C10H20O2Si and a molecular weight of 202.36 g/mol. Its IUPAC name is (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol
PubChem CID58581959
Molecular FormulaC10H20O2Si
Molecular Weight202.36 g/mol
Exact Mass202.13
IUPAC Name(2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol
SMILES[3H]OC[C@H](C)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-9(8-11)10(12)6-5-7-13(2,3)4/h9-12H,6,8H2,1-4H3/t9-,10+/m0/s1/i11T
InChIKeyCUXDYTBZBMROGK-ZOHMOBRSSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol 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

1-Cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol
CID 22180837
(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
5-Methyl-1-trimethylsilylhexane-1,3-diol
CID 5247325
2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 11736971
2-Methyl-7-trimethylsilylhept-5-yn-3-ol
CID 12169943
(3R)-4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
CID 12193382
(2R,3R)-3-[(tert-Butyldimethylsilyl)oxy]-2-methylpentan-1-ol
CID 14590718

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol?
The IUPAC name of (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol (CID 58581959) is (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol.
What is the SMILES notation for (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol?
The canonical SMILES for (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol is [3H]OC[C@H](C)[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol?
The InChIKey is CUXDYTBZBMROGK-ZOHMOBRSSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(8-11)10(12)6-5-7-13(2,3)4/h9-12H,6,8H2,1-4H3/t9-,10+/m0/s1/i11T.
What are the key properties of (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol?
(2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol has a molecular weight of 202.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol is sourced from PubChem (CID 58581959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).