[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane

C11H22OSi — CID 58581981

IUPAC[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
SMILES[3H]OC[C@H](C)[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(11(2)9-12)7-6-8-13(3,4)5/h10-12H,7,9H2,1-5H3/t10-,11+/m1/s1/i12T
InChIKeyVNHIELWGEYPNOX-OYFRKXGJSA-N
MW200.39 g/mol
LogP2.52
Rot. Bonds4

About [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane

[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane (PubChem CID 58581981) has the molecular formula C11H22OSi and a molecular weight of 200.39 g/mol. Its IUPAC name is [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
PubChem CID58581981
Molecular FormulaC11H22OSi
Molecular Weight200.39 g/mol
Exact Mass200.15
IUPAC Name[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
SMILES[3H]OC[C@H](C)[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(11(2)9-12)7-6-8-13(3,4)5/h10-12H,7,9H2,1-5H3/t10-,11+/m1/s1/i12T
InChIKeyVNHIELWGEYPNOX-OYFRKXGJSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-5-trimethylsilylpent-4-yn-1-ol
CID 25107589
(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
[(1R,2S)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]methanol
CID 101787984
3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol
CID 135036869
(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
CID 138980914
(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol
CID 166439538
(4R,5R)-2-methyl-5-trimethylsilyloct-6-yn-4-ol
CID 166443605
[1-Methyl-2-(2-trimethylsilylethynyl)cyclopropyl]methanol
CID 73813406
5-Methyl-1-trimethylsilylhex-1-yn-3-ol
CID 12748620
2-Methyl-6-trimethylsilylhex-5-yn-1-ol
CID 14141636
6-(tert-Butyldimethylsilyl)hex-5-yn-1-ol
CID 14937281
9-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxynon-4-yn-1-ol
CID 22164928

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane?
The IUPAC name of [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane (CID 58581981) is [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane is [3H]OC[C@H](C)[C@H](C)CC#C[Si](C)(C)C.
What is the InChIKey of [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane?
The InChIKey is VNHIELWGEYPNOX-OYFRKXGJSA-N. The full InChI is InChI=1S/C11H22OSi/c1-10(11(2)9-12)7-6-8-13(3,4)5/h10-12H,7,9H2,1-5H3/t10-,11+/m1/s1/i12T.
What are the key properties of [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane?
[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane has a molecular weight of 200.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane is sourced from PubChem (CID 58581981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).