(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one

C19H38O3Si2 — CID 10893997

IUPAC(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one
SMILESC#C[C@@H](CC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-13-16(22-24(11,12)19(6,7)8)14-17(20)15(2)21-23(9,10)18(3,4)5/h1,15-16H,14H2,2-12H3/t15-,16+/m1/s1
InChIKeyFQCWGIFODOHCQX-CVEARBPZSA-N
MW370.68 g/mol
LogP5.38
Rot. Bonds7

About (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one

(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one (PubChem CID 10893997) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one.

Molecular Properties

Compound Name(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one
PubChem CID10893997
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one
SMILESC#C[C@@H](CC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-13-16(22-24(11,12)19(6,7)8)14-17(20)15(2)21-23(9,10)18(3,4)5/h1,15-16H,14H2,2-12H3/t15-,16+/m1/s1
InChIKeyFQCWGIFODOHCQX-CVEARBPZSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,9-Bis[[tert-butyl(dimethyl)silyl]oxy]non-4-yn-3-one
CID 11452321
5,11-Bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one
CID 11990076
4,6-Bis[[tert-butyl(dimethyl)silyl]oxy]hex-1-yn-3-one
CID 102020463
(2S)-2-[tert-butyl(dimethyl)silyl]oxyundec-6-yn-3-one
CID 122228874

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one?
The IUPAC name of (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one (CID 10893997) is (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one.
What is the SMILES notation for (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one?
The canonical SMILES for (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one is C#C[C@@H](CC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one?
The InChIKey is FQCWGIFODOHCQX-CVEARBPZSA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-13-16(22-24(11,12)19(6,7)8)14-17(20)15(2)21-23(9,10)18(3,4)5/h1,15-16H,14H2,2-12H3/t15-,16+/m1/s1.
What are the key properties of (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one?
(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one has a molecular weight of 370.68 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one is sourced from PubChem (CID 10893997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).