2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol

C18H34O2Si — CID 11130719

IUPAC2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol
SMILESC=CCCCCC(O)CC#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-8-9-10-11-14-17(19)15-12-13-16(2)20-21(6,7)18(3,4)5/h8,16-17,19H,1,9-11,14-15H2,2-7H3
InChIKeyFEZBVGJMZOGLFQ-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.90
Rot. Bonds8

About 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol

2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol (PubChem CID 11130719) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol
PubChem CID11130719
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol
SMILESC=CCCCCC(O)CC#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-8-9-10-11-14-17(19)15-12-13-16(2)20-21(6,7)18(3,4)5/h8,16-17,19H,1,9-11,14-15H2,2-7H3
InChIKeyFEZBVGJMZOGLFQ-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol (CID 11130719) is 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol is C=CCCCCC(O)CC#CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol?
The InChIKey is FEZBVGJMZOGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-8-9-10-11-14-17(19)15-12-13-16(2)20-21(6,7)18(3,4)5/h8,16-17,19H,1,9-11,14-15H2,2-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol?
2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol has a molecular weight of 310.55 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol is sourced from PubChem (CID 11130719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).