3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol

C19H36OSi2 — CID 135049710

IUPAC3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol
SMILESCCCCC#CC(O)C(C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi2/c1-10-11-12-13-14-17(20)18(15-16-21(5,6)7)22(8,9)19(2,3)4/h17-18,20H,10-12H2,1-9H3
InChIKeyAKDIOHJUZNXTIV-UHFFFAOYSA-N
MW336.67 g/mol
LogP5.30
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol

3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol (PubChem CID 135049710) has the molecular formula C19H36OSi2 and a molecular weight of 336.67 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol
PubChem CID135049710
Molecular FormulaC19H36OSi2
Molecular Weight336.67 g/mol
Exact Mass336.23
IUPAC Name3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol
SMILESCCCCC#CC(O)C(C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi2/c1-10-11-12-13-14-17(20)18(15-16-21(5,6)7)22(8,9)19(2,3)4/h17-18,20H,10-12H2,1-9H3
InChIKeyAKDIOHJUZNXTIV-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.67
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol (CID 135049710) is 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol is CCCCC#CC(O)C(C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol?
The InChIKey is AKDIOHJUZNXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi2/c1-10-11-12-13-14-17(20)18(15-16-21(5,6)7)22(8,9)19(2,3)4/h17-18,20H,10-12H2,1-9H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol?
3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol has a molecular weight of 336.67 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol is sourced from PubChem (CID 135049710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).