(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol

C16H32O2Si — CID 135017386

IUPAC(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol
SMILESCC#C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CO
InChIInChI=1S/C16H32O2Si/c1-9-10-16(15(8)11-17)18-19(12(2)3,13(4)5)14(6)7/h12-17H,11H2,1-8H3/t15-,16+/m0/s1
InChIKeyRJSUEKNNODSQEF-JKSUJKDBSA-N
MW284.52 g/mol
LogP4.20
Rot. Bonds7

About (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol

(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol (PubChem CID 135017386) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol
PubChem CID135017386
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol
SMILESCC#C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CO
InChIInChI=1S/C16H32O2Si/c1-9-10-16(15(8)11-17)18-19(12(2)3,13(4)5)14(6)7/h12-17H,11H2,1-8H3/t15-,16+/m0/s1
InChIKeyRJSUEKNNODSQEF-JKSUJKDBSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
2-Methyl-1-butanol, 3-t-butyldimethylsilyloxy-
CID 554461
1-Pentyn-3-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10242363
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-1-ol
CID 11063919
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 15598231
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
CID 11235617
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,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11618217
(2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11639893

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol?
The IUPAC name of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol (CID 135017386) is (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol.
What is the SMILES notation for (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol?
The canonical SMILES for (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol is CC#C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CO.
What is the InChIKey of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol?
The InChIKey is RJSUEKNNODSQEF-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-10-16(15(8)11-17)18-19(12(2)3,13(4)5)14(6)7/h12-17H,11H2,1-8H3/t15-,16+/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol?
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol is sourced from PubChem (CID 135017386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).