4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol

C18H34O2Si2 — CID 131880925

IUPAC4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol
SMILESCC[Si](C)(CC)CC[Si](C)(C#CC(C)(C)O)C#CC(C)(C)O
InChIInChI=1S/C18H34O2Si2/c1-9-21(7,10-2)15-16-22(8,13-11-17(3,4)19)14-12-18(5,6)20/h19-20H,9-10,15-16H2,1-8H3
InChIKeyNDCBXZPWEOOSID-UHFFFAOYSA-N
MW338.64 g/mol
LogP3.81
Rot. Bonds5

About 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol

4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol (PubChem CID 131880925) has the molecular formula C18H34O2Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol
PubChem CID131880925
Molecular FormulaC18H34O2Si2
Molecular Weight338.64 g/mol
Exact Mass338.21
IUPAC Name4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol
SMILESCC[Si](C)(CC)CC[Si](C)(C#CC(C)(C)O)C#CC(C)(C)O
InChIInChI=1S/C18H34O2Si2/c1-9-21(7,10-2)15-16-22(8,13-11-17(3,4)19)14-12-18(5,6)20/h19-20H,9-10,15-16H2,1-8H3
InChIKeyNDCBXZPWEOOSID-UHFFFAOYSA-N
XLogP3.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 53.81
H-Bond Donors ≤ 52
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

2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 332724
6-Trimethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 10678951
1,7-Bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
CID 15258550
(3R)-3-ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 135086314
1-Tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]trideca-1,4,6,8-tetrayn-3-ol
CID 24179136
(3,6-Diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
CID 102086370
6-Dimethylethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 129806516
2-[Tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
CID 135068800
4,7,13,16-Tetramethoxy-1,4,7,10,13,16-hexakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayne-1,10-diol
CID 138971021
1-Trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol
CID 138980138
(3S)-3-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]-1-trimethylsilylpent-1-yn-3-ol
CID 166442571
2-Methyl-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
CID 85976137

Frequently Asked Questions

What is the IUPAC name of 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol (CID 131880925) is 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol is CC[Si](C)(CC)CC[Si](C)(C#CC(C)(C)O)C#CC(C)(C)O.
What is the InChIKey of 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol?
The InChIKey is NDCBXZPWEOOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si2/c1-9-21(7,10-2)15-16-22(8,13-11-17(3,4)19)14-12-18(5,6)20/h19-20H,9-10,15-16H2,1-8H3.
What are the key properties of 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol?
4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol has a molecular weight of 338.64 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[diethyl(methyl)silyl]ethyl-(3-hydroxy-3-methylbut-1-ynyl)-methylsilyl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 131880925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).