(2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one

C17H32O2Si — CID 122228874

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one
SMILESCCCCC#CCCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-8-9-10-11-12-13-14-16(18)15(2)19-20(6,7)17(3,4)5/h15H,8-10,13-14H2,1-7H3/t15-/m0/s1
InChIKeyRJICKMHUJOENDC-HNNXBMFYSA-N
MW296.53 g/mol
LogP4.94
Rot. Bonds7

About (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one

(2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one (PubChem CID 122228874) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one
PubChem CID122228874
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one
SMILESCCCCC#CCCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-8-9-10-11-12-13-14-16(18)15(2)19-20(6,7)17(3,4)5/h15H,8-10,13-14H2,1-7H3/t15-/m0/s1
InChIKeyRJICKMHUJOENDC-HNNXBMFYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.94
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'}

Analyze (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Ditert-butyl(oct-1-ynyl)silyl]oxyhexanal
CID 10808929
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
CID 11593815
(2S)-2,11-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 16116371
2-[Tert-butyl(dimethyl)silyl]oxyhexan-3-one
CID 73023201
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-3,5,10,12-tetrayn-7-one
CID 89717141
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-4,6,11,13-tetrayn-8-one
CID 89717142
(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one
CID 90886218
(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one
CID 10893997
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11751320
5,11-Bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one
CID 11990076
(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydodec-6-yn-5-one
CID 46894186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one (CID 122228874) is (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one is CCCCC#CCCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one?
The InChIKey is RJICKMHUJOENDC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-9-10-11-12-13-14-16(18)15(2)19-20(6,7)17(3,4)5/h15H,8-10,13-14H2,1-7H3/t15-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one?
(2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one has a molecular weight of 296.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one is sourced from PubChem (CID 122228874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).