(6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid

C15H24O3Si — CID 21061834

IUPAC(6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid
SMILESC=C/C=C/C(CC#CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-7-8-10-13(11-9-12-14(16)17)18-19(5,6)15(2,3)4/h7-8,10,13H,1,11H2,2-6H3,(H,16,17)/b10-8+
InChIKeyMFFQGXWZNDSEKJ-CSKARUKUSA-N
MW280.44 g/mol
LogP3.60
Rot. Bonds5

About (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid

(6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid (PubChem CID 21061834) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid.

Molecular Properties

Compound Name(6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid
PubChem CID21061834
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name(6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid
SMILESC=C/C=C/C(CC#CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-7-8-10-13(11-9-12-14(16)17)18-19(5,6)15(2,3)4/h7-8,10,13H,1,11H2,2-6H3,(H,16,17)/b10-8+
InChIKeyMFFQGXWZNDSEKJ-CSKARUKUSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid?
The IUPAC name of (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid (CID 21061834) is (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid.
What is the SMILES notation for (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid?
The canonical SMILES for (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid is C=C/C=C/C(CC#CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid?
The InChIKey is MFFQGXWZNDSEKJ-CSKARUKUSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-7-8-10-13(11-9-12-14(16)17)18-19(5,6)15(2,3)4/h7-8,10,13H,1,11H2,2-6H3,(H,16,17)/b10-8+.
What are the key properties of (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid?
(6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid has a molecular weight of 280.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dien-2-ynoic acid is sourced from PubChem (CID 21061834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).