7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol

C16H28O2Si — CID 134968749

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
SMILESC=CC(CCC#CC(=C)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-8-15(12-10-9-11-14(2)13-17)18-19(6,7)16(3,4)5/h8,15,17H,1-2,10,12-13H2,3-7H3
InChIKeyOXMFTMWLUSAHQX-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.89
Rot. Bonds6

About 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol

7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol (PubChem CID 134968749) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
PubChem CID134968749
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
SMILESC=CC(CCC#CC(=C)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-8-15(12-10-9-11-14(2)13-17)18-19(6,7)16(3,4)5/h8,15,17H,1-2,10,12-13H2,3-7H3
InChIKeyOXMFTMWLUSAHQX-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]oxy-2-methylidenenon-8-en-3-yn-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol (CID 134968749) is 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol is C=CC(CCC#CC(=C)CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol?
The InChIKey is OXMFTMWLUSAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-8-15(12-10-9-11-14(2)13-17)18-19(6,7)16(3,4)5/h8,15,17H,1-2,10,12-13H2,3-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol?
7-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol has a molecular weight of 280.48 g/mol, XLogP of 3.89, 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]oxy-2-methylidenenon-8-en-3-yn-1-ol is sourced from PubChem (CID 134968749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).