1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol

C16H34O2Si2 — CID 142478631

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(O)(CC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-15(2,3)20(8,9)18-13-12-16(4,17)11-10-14-19(5,6)7/h17H,11-13H2,1-9H3
InChIKeyCOFAYMROPLOQFF-UHFFFAOYSA-N
MW314.62 g/mol
LogP4.42
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 142478631) has the molecular formula C16H34O2Si2 and a molecular weight of 314.62 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID142478631
Molecular FormulaC16H34O2Si2
Molecular Weight314.62 g/mol
Exact Mass314.21
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(O)(CC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-15(2,3)20(8,9)18-13-12-16(4,17)11-10-14-19(5,6)7/h17H,11-13H2,1-9H3
InChIKeyCOFAYMROPLOQFF-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 54.42
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'}

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-4-methyl-3-triethylsilyloxy-6-trimethylsilylhex-5-yn-1-ol
CID 72374910
1-[Tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol
CID 123523351
1-[Tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
CID 142478700
(2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol
CID 10530547
tert-butyl-dimethyl-[(3R)-3-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 10570287
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-yn-1-ol
CID 10904003
8-[Tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol
CID 10960617
(3S)-6-trimethylsilyl-1-tri(propan-2-yl)silyloxyhex-5-yn-3-ol
CID 11416603
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11567489
(2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 11738958
(2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol
CID 11800965
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol
CID 16755809

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol (CID 142478631) is 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol is CC(O)(CC#C[Si](C)(C)C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is COFAYMROPLOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si2/c1-15(2,3)20(8,9)18-13-12-16(4,17)11-10-14-19(5,6)7/h17H,11-13H2,1-9H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 314.62 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 142478631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).