(2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol

C11H22OSi — CID 10679483

IUPAC(2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol
SMILESC[C@@H](CO)C[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(8-11(2)9-12)6-7-13(3,4)5/h10-12H,8-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyBUPDYCVTVGBKNM-WDEREUQCSA-N
MW198.38 g/mol
LogP2.52
Rot. Bonds3

About (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol

(2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol (PubChem CID 10679483) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol.

Molecular Properties

Compound Name(2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol
PubChem CID10679483
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol
SMILESC[C@@H](CO)C[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(8-11(2)9-12)6-7-13(3,4)5/h10-12H,8-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyBUPDYCVTVGBKNM-WDEREUQCSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
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'}

Analyze (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol with MolForge

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Related Compounds

6-(Trimethylsilyl)hex-5-yn-1-ol
CID 10877568
{3-[(trimethylsilyl)methyl]cyclobutyl}methanol, Mixture of diastereomers
CID 155973625
8-Trimethylsilylocta-5,7-diyn-1-ol
CID 11298503
(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
[(3S,5S)-1,1,5-trimethylsilinan-3-yl]methanol
CID 10219624
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
(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
7-(Trimethylsilyl)hept-5-yn-1-ol
CID 12853430

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
The IUPAC name of (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol (CID 10679483) is (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol.
What is the SMILES notation for (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
The canonical SMILES for (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol is C[C@@H](CO)C[C@@H](C)C#C[Si](C)(C)C.
What is the InChIKey of (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
The InChIKey is BUPDYCVTVGBKNM-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22OSi/c1-10(8-11(2)9-12)6-7-13(3,4)5/h10-12H,8-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol?
(2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol has a molecular weight of 198.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol is sourced from PubChem (CID 10679483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).