(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol

C16H34O2Si2 — CID 101162769

IUPAC(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-13(11-12-19(6,7)8)15(17)14(2)18-20(9,10)16(3,4)5/h13-15,17H,1-10H3/t13-,14-,15-/m0/s1
InChIKeyRLFVNMRBSXTLMB-KKUMJFAQSA-N
MW314.62 g/mol
LogP4.27
Rot. Bonds4

About (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol

(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 101162769) has the molecular formula C16H34O2Si2 and a molecular weight of 314.62 g/mol. Its IUPAC name is (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID101162769
Molecular FormulaC16H34O2Si2
Molecular Weight314.62 g/mol
Exact Mass314.21
IUPAC Name(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-13(11-12-19(6,7)8)15(17)14(2)18-20(9,10)16(3,4)5/h13-15,17H,1-10H3/t13-,14-,15-/m0/s1
InChIKeyRLFVNMRBSXTLMB-KKUMJFAQSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 54.27
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

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol
CID 140815551
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(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
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-yn-2-ol
CID 24881691
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930779
(3S,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930780
CID 134931502
CID 134931502
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol
CID 135017386
2-Prop-1-ynyl-4-tri(propan-2-yl)silyloxybutane-1,3-diol
CID 135022907
(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-tri(propan-2-yl)silyloxyhex-4-yn-2-ol
CID 135022963

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol (CID 101162769) is (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C.
What is the InChIKey of (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is RLFVNMRBSXTLMB-KKUMJFAQSA-N. The full InChI is InChI=1S/C16H34O2Si2/c1-13(11-12-19(6,7)8)15(17)14(2)18-20(9,10)16(3,4)5/h13-15,17H,1-10H3/t13-,14-,15-/m0/s1.
What are the key properties of (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol?
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 314.62 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 101162769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).