(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one

C16H30O2Si — CID 154719880

IUPAC(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one
SMILESC#CC[C@H](C)[C@H](CCC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-10-13(2)15(12-11-14(3)17)18-19(7,8)16(4,5)6/h1,13,15H,10-12H2,2-8H3/t13-,15-/m0/s1
InChIKeySUIQRRBSZHPLOY-ZFWWWQNUSA-N
MW282.50 g/mol
LogP4.41
Rot. Bonds7

About (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one (PubChem CID 154719880) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one.

Molecular Properties

Compound Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one
PubChem CID154719880
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one
SMILESC#CC[C@H](C)[C@H](CCC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-10-13(2)15(12-11-14(3)17)18-19(7,8)16(4,5)6/h1,13,15H,10-12H2,2-8H3/t13-,15-/m0/s1
InChIKeySUIQRRBSZHPLOY-ZFWWWQNUSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-one
CID 134857745
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyl-2-methylcyclohexan-1-one
CID 162414307
5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-methylundecan-3-one
CID 10831861
(3R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylnon-1-yn-4-one
CID 11120484
carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one
CID 11296300
(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one
CID 11296301
(5S,6S,7R,8S,9S)-6,8,10-tris[[tert-butyl(dimethyl)silyl]oxy]-5,7,9-trimethyldec-1-yn-3-one
CID 46895828

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one?
The IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one (CID 154719880) is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one.
What is the SMILES notation for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one?
The canonical SMILES for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one is C#CC[C@H](C)[C@H](CCC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one?
The InChIKey is SUIQRRBSZHPLOY-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-10-13(2)15(12-11-14(3)17)18-19(7,8)16(4,5)6/h1,13,15H,10-12H2,2-8H3/t13-,15-/m0/s1.
What are the key properties of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one?
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one has a molecular weight of 282.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one is sourced from PubChem (CID 154719880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).