(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol

C21H46O3Si3 — CID 134930779

IUPAC(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C21H46O3Si3/c1-20(2,3)26(10,11)23-16-14-19(18(22)15-17-25(7,8)9)24-27(12,13)21(4,5)6/h18-19,22H,14,16H2,1-13H3/t18-,19+/m1/s1
InChIKeyGEZMTOFMJNTQNJ-MOPGFXCFSA-N
MW430.85 g/mol
LogP6.03
Rot. Bonds7

About (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol

(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol (PubChem CID 134930779) has the molecular formula C21H46O3Si3 and a molecular weight of 430.85 g/mol. Its IUPAC name is (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol.

Molecular Properties

Compound Name(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
PubChem CID134930779
Molecular FormulaC21H46O3Si3
Molecular Weight430.85 g/mol
Exact Mass430.28
IUPAC Name(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C21H46O3Si3/c1-20(2,3)26(10,11)23-16-14-19(18(22)15-17-25(7,8)9)24-27(12,13)21(4,5)6/h18-19,22H,14,16H2,1-13H3/t18-,19+/m1/s1
InChIKeyGEZMTOFMJNTQNJ-MOPGFXCFSA-N
XLogP6.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.85
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11579557
(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
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 44556689
(5r,6r)-1,6-Di-t-butyldimethylsiloxy-5-hydroxyheptadec-2-yne
CID 129776450
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol
CID 134859478
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol
CID 134872461
5-Tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol
CID 134928395

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol?
The IUPAC name of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol (CID 134930779) is (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol.
What is the SMILES notation for (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol?
The canonical SMILES for (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol is CC(C)(C)[Si](C)(C)OCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol?
The InChIKey is GEZMTOFMJNTQNJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H46O3Si3/c1-20(2,3)26(10,11)23-16-14-19(18(22)15-17-25(7,8)9)24-27(12,13)21(4,5)6/h18-19,22H,14,16H2,1-13H3/t18-,19+/m1/s1.
What are the key properties of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol?
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol has a molecular weight of 430.85 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol is sourced from PubChem (CID 134930779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).