(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one

C14H28O2Si2 — CID 11448995

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-12(13(15)10-11-17(5,6)7)16-18(8,9)14(2,3)4/h12H,1-9H3/t12-/m0/s1
InChIKeyYBBZTUVJFKALRH-LBPRGKRZSA-N
MW284.55 g/mol
LogP3.85
Rot. Bonds3

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one (PubChem CID 11448995) has the molecular formula C14H28O2Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
PubChem CID11448995
Molecular FormulaC14H28O2Si2
Molecular Weight284.55 g/mol
Exact Mass284.16
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-12(13(15)10-11-17(5,6)7)16-18(8,9)14(2,3)4/h12H,1-9H3/t12-/m0/s1
InChIKeyYBBZTUVJFKALRH-LBPRGKRZSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 53.85
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

2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
CID 12027339
6-((tert-Butyldimethylsilyl)oxy)hex-3-yn-2-one
CID 13449457
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10822006
5-((Tert-butyldimethylsilyl)oxy)pent-3-yn-2-one
CID 12764994
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-one
CID 135012297
(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one
CID 139263617
Silane, trimethyl[1-methyl-2-oxo-2-(trimethylsilyl)ethoxy]-, (R)-
CID 22214233
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58373563
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-ynal
CID 58373579
2-[Tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461612

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one (CID 11448995) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one is C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C#C[Si](C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
The InChIKey is YBBZTUVJFKALRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28O2Si2/c1-12(13(15)10-11-17(5,6)7)16-18(8,9)14(2,3)4/h12H,1-9H3/t12-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one has a molecular weight of 284.55 g/mol, XLogP of 3.85, 3 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]oxy-1-trimethylsilylpent-1-yn-3-one is sourced from PubChem (CID 11448995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).