9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol

C18H28O2Si — CID 11266709

IUPAC9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
SMILESC#CC(CCC#CC(O)C(C)C#C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28O2Si/c1-9-15(3)17(19)14-12-11-13-16(10-2)20-21(7,8)18(4,5)6/h1-2,15-17,19H,11,13H2,3-8H3
InChIKeyIBEJVDHVCAAMJJ-UHFFFAOYSA-N
MW304.51 g/mol
LogP3.42
Rot. Bonds5

About 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol

9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol (PubChem CID 11266709) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
PubChem CID11266709
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
SMILESC#CC(CCC#CC(O)C(C)C#C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28O2Si/c1-9-15(3)17(19)14-12-11-13-16(10-2)20-21(7,8)18(4,5)6/h1-2,15-17,19H,11,13H2,3-8H3
InChIKeyIBEJVDHVCAAMJJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 53.42
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'}

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Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol (CID 11266709) is 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol is C#CC(CCC#CC(O)C(C)C#C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol?
The InChIKey is IBEJVDHVCAAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-9-15(3)17(19)14-12-11-13-16(10-2)20-21(7,8)18(4,5)6/h1-2,15-17,19H,11,13H2,3-8H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol?
9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol has a molecular weight of 304.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol is sourced from PubChem (CID 11266709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).