(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one

C14H28O2Si — CID 10634857

IUPAC(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
SMILESC=CC(=O)CCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-13(15)11-9-10-12(2)16-17(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m1/s1
InChIKeyUNPLYBPGAXPCJT-GFCCVEGCSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds7

About (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one

(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one (PubChem CID 10634857) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one.

Molecular Properties

Compound Name(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
PubChem CID10634857
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
SMILESC=CC(=O)CCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-13(15)11-9-10-12(2)16-17(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m1/s1
InChIKeyUNPLYBPGAXPCJT-GFCCVEGCSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one?
The IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one (CID 10634857) is (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one.
What is the SMILES notation for (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one?
The canonical SMILES for (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one is C=CC(=O)CCC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one?
The InChIKey is UNPLYBPGAXPCJT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-13(15)11-9-10-12(2)16-17(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m1/s1.
What are the key properties of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one?
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one has a molecular weight of 256.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one is sourced from PubChem (CID 10634857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).