(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one

C15H28O2Si — CID 90886218

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one
SMILESCC#CCCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C15H28O2Si/c1-8-9-10-11-12-14(13(2)16)17-18(6,7)15(3,4)5/h14H,10-12H2,1-7H3/t14-/m0/s1
InChIKeyPTSVWDRFJKJKLS-AWEZNQCLSA-N
MW268.47 g/mol
LogP4.16
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one

(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one (PubChem CID 90886218) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one
PubChem CID90886218
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one
SMILESCC#CCCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C15H28O2Si/c1-8-9-10-11-12-14(13(2)16)17-18(6,7)15(3,4)5/h14H,10-12H2,1-7H3/t14-/m0/s1
InChIKeyPTSVWDRFJKJKLS-AWEZNQCLSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.16
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 21195366
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
2-[Ditert-butyl(oct-1-ynyl)silyl]oxyhexanal
CID 10808929
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
CID 11593815
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 18653741
(2R)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 60090939
2-[Tert-butyl(dimethyl)silyl]oxyhexan-3-one
CID 73023201
(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 90921045
(4R)-4-[tert-butyl(dimethyl)silyl]oxyheptan-3-one
CID 140080814
(4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-3-one
CID 140080825
3-Dimethylsilyloxyheptan-2-one
CID 154311165
4-[Tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 174333445

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one (CID 90886218) is (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one is CC#CCCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one?
The InChIKey is PTSVWDRFJKJKLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-9-10-11-12-14(13(2)16)17-18(6,7)15(3,4)5/h14H,10-12H2,1-7H3/t14-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one?
(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one has a molecular weight of 268.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one is sourced from PubChem (CID 90886218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).