(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one

C16H32O2Si — CID 11055220

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)CC
InChIInChI=1S/C16H32O2Si/c1-10-12-14(16(6,7)13(17)11-2)18-19(8,9)15(3,4)5/h10,14H,1,11-12H2,2-9H3/t14-/m0/s1
InChIKeyRRBWKUCJPXAHGK-AWEZNQCLSA-N
MW284.52 g/mol
LogP4.96
Rot. Bonds7

About (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one (PubChem CID 11055220) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one
PubChem CID11055220
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)CC
InChIInChI=1S/C16H32O2Si/c1-10-12-14(16(6,7)13(17)11-2)18-19(8,9)15(3,4)5/h10,14H,1,11-12H2,2-9H3/t14-/m0/s1
InChIKeyRRBWKUCJPXAHGK-AWEZNQCLSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one (CID 11055220) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one is C=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)CC.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one?
The InChIKey is RRBWKUCJPXAHGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-10-12-14(16(6,7)13(17)11-2)18-19(8,9)15(3,4)5/h10,14H,1,11-12H2,2-9H3/t14-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one has a molecular weight of 284.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one is sourced from PubChem (CID 11055220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).