(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one

C14H24O2Si — CID 10399988

IUPAC(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one
SMILESCC#CC(=O)/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h8,11H,9,12H2,1-6H3/b11-8-
InChIKeyBBYSJPRCHVJZND-FLIBITNWSA-N
MW252.43 g/mol
LogP3.55
Rot. Bonds5

About (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one

(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one (PubChem CID 10399988) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one.

Molecular Properties

Compound Name(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one
PubChem CID10399988
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one
SMILESCC#CC(=O)/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h8,11H,9,12H2,1-6H3/b11-8-
InChIKeyBBYSJPRCHVJZND-FLIBITNWSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one?
The IUPAC name of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one (CID 10399988) is (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one.
What is the SMILES notation for (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one?
The canonical SMILES for (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one is CC#CC(=O)/C=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one?
The InChIKey is BBYSJPRCHVJZND-FLIBITNWSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h8,11H,9,12H2,1-6H3/b11-8-.
What are the key properties of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one?
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one has a molecular weight of 252.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-one is sourced from PubChem (CID 10399988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).