1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol

C16H32O2Si — CID 24787557

IUPAC1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
SMILESCCCCC#CC(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-12-15(17)13-11-14-18-19(5,6)16(2,3)4/h15,17H,7-9,11,13-14H2,1-6H3
InChIKeyDFRBCJHPLCQXCD-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.34
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol

1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol (PubChem CID 24787557) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
PubChem CID24787557
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
SMILESCCCCC#CC(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-12-15(17)13-11-14-18-19(5,6)16(2,3)4/h15,17H,7-9,11,13-14H2,1-6H3
InChIKeyDFRBCJHPLCQXCD-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.34
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol (CID 24787557) is 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol is CCCCC#CC(O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol?
The InChIKey is DFRBCJHPLCQXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-8-9-10-12-15(17)13-11-14-18-19(5,6)16(2,3)4/h15,17H,7-9,11,13-14H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol?
1-[tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol has a molecular weight of 284.52 g/mol, XLogP of 4.34, 7 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]oxydec-5-yn-4-ol is sourced from PubChem (CID 24787557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).