7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol

C15H28O2Si — CID 11119106

IUPAC7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol
SMILESC=CC(CCCC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-14(12-10-8-9-11-13-16)17-18(5,6)15(2,3)4/h7,14,16H,1,8,10,12-13H2,2-6H3
InChIKeyZXNKQOKRZSDWJC-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.73
Rot. Bonds6

About 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol

7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol (PubChem CID 11119106) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol
PubChem CID11119106
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol
SMILESC=CC(CCCC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-14(12-10-8-9-11-13-16)17-18(5,6)15(2,3)4/h7,14,16H,1,8,10,12-13H2,2-6H3
InChIKeyZXNKQOKRZSDWJC-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.73
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 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol (CID 11119106) is 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol is C=CC(CCCC#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol?
The InChIKey is ZXNKQOKRZSDWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-14(12-10-8-9-11-13-16)17-18(5,6)15(2,3)4/h7,14,16H,1,8,10,12-13H2,2-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol?
7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol has a molecular weight of 268.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-yn-1-ol is sourced from PubChem (CID 11119106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).