(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal

C15H28O2Si — CID 10492162

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
SMILESCCCCC[C@@H](C#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h13-14H,7-9,11H2,1-6H3/t14-/m0/s1
InChIKeyHENGXHGALAFFCJ-AWEZNQCLSA-N
MW268.47 g/mol
LogP4.16
Rot. Bonds6

About (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal

(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal (PubChem CID 10492162) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
PubChem CID10492162
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
SMILESCCCCC[C@@H](C#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h13-14H,7-9,11H2,1-6H3/t14-/m0/s1
InChIKeyHENGXHGALAFFCJ-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': 'aldehyde', 'substructure': 'N/A'}, {'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

tert-Butyl(dimethyl)[(1-pentylprop-2-ynyl)oxy]silane
CID 11791325
7-[Tert-butyl(dimethyl)silyl]oxyhept-2-ynal
CID 11770577
(R)-3-tert-butyldimethylsilanyloxy-1-octyne
CID 10538048
(S)-tert-Butyldimethyl(oct-1-yn-3-yloxy)silane
CID 10752577
(4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-ynal
CID 11069060
(4R)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
CID 10587999
tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane
CID 11006426
Tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane
CID 11379521
(4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal
CID 11736925
5-[Tert-butyl(dimethyl)silyl]oxyoct-2-ynal
CID 50916847
Lithium 3-{[tert-butyl(dimethyl)silyl]oxy}oct-1-yn-1-ide
CID 71401122

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal (CID 10492162) is (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal is CCCCC[C@@H](C#CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal?
The InChIKey is HENGXHGALAFFCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h13-14H,7-9,11H2,1-6H3/t14-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal?
(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal 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 (4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal is sourced from PubChem (CID 10492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).