6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol

C15H32O3Si2 — CID 102427457

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C15H32O3Si2/c1-15(2,3)20(7,8)18-11-9-13(16)14(17)10-12-19(4,5)6/h13-14,16-17H,9,11H2,1-8H3
InChIKeyZLPLMDRRLAIDBN-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.00
Rot. Bonds5

About 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol

6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol (PubChem CID 102427457) has the molecular formula C15H32O3Si2 and a molecular weight of 316.59 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol
PubChem CID102427457
Molecular FormulaC15H32O3Si2
Molecular Weight316.59 g/mol
Exact Mass316.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C15H32O3Si2/c1-15(2,3)20(7,8)18-11-9-13(16)14(17)10-12-19(4,5)6/h13-14,16-17H,9,11H2,1-8H3
InChIKeyZLPLMDRRLAIDBN-UHFFFAOYSA-N
XLogP3.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.00
H-Bond Donors ≤ 52
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

5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
(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
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 11818518
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
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
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 101990485
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
CID 134841909
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
CID 134842158

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol (CID 102427457) is 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol is CC(C)(C)[Si](C)(C)OCCC(O)C(O)C#C[Si](C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol?
The InChIKey is ZLPLMDRRLAIDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si2/c1-15(2,3)20(7,8)18-11-9-13(16)14(17)10-12-19(4,5)6/h13-14,16-17H,9,11H2,1-8H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol?
6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol has a molecular weight of 316.59 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yne-3,4-diol is sourced from PubChem (CID 102427457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).