(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one

C19H38O3Si2 — CID 139263617

IUPAC(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one
SMILESCC[C@H](C#CC(=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-12-17(22-24(10,11)19(5,6)7)14-13-16(20)15-21-23(8,9)18(2,3)4/h17H,12,15H2,1-11H3/t17-/m1/s1
InChIKeyIVRVHRDJEWORIH-QGZVFWFLSA-N
MW370.68 g/mol
LogP5.38
Rot. Bonds6

About (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one

(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one (PubChem CID 139263617) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one.

Molecular Properties

Compound Name(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one
PubChem CID139263617
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one
SMILESCC[C@H](C#CC(=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-12-17(22-24(10,11)19(5,6)7)14-13-16(20)15-21-23(8,9)18(2,3)4/h17H,12,15H2,1-11H3/t17-/m1/s1
InChIKeyIVRVHRDJEWORIH-QGZVFWFLSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-one
CID 12027339
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
Tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
CID 134977101
(2S)-2,11-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 16116371
1-[Tert-butyl(dimethyl)silyl]oxybut-3-yn-2-one
CID 175038951
tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane
CID 11223738
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-one
CID 11448995
(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
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-yloxy]-dimethylsilane
CID 16007374
(2S)-2-{[tert-Butyl(dimethyl)silyl]oxy}-5-(triethylsilyl)pent-4-ynal
CID 71424877
2-[(Tert-butyldimethylsilyl)oxy]hex-4-yn-3-one
CID 119031724

Frequently Asked Questions

What is the IUPAC name of (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one?
The IUPAC name of (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one (CID 139263617) is (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one.
What is the SMILES notation for (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one?
The canonical SMILES for (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one is CC[C@H](C#CC(=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one?
The InChIKey is IVRVHRDJEWORIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-12-17(22-24(10,11)19(5,6)7)14-13-16(20)15-21-23(8,9)18(2,3)4/h17H,12,15H2,1-11H3/t17-/m1/s1.
What are the key properties of (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one?
(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one has a molecular weight of 370.68 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one is sourced from PubChem (CID 139263617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).