(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride

C24H53ClO4Si3 — CID 10864320

IUPAC(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(=O)Cl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H53ClO4Si3/c1-18(27-30(11,12)22(2,3)4)21(29-32(15,16)24(8,9)10)19(17-20(25)26)28-31(13,14)23(5,6)7/h18-19,21H,17H2,1-16H3/t18-,19+,21-/m1/s1
InChIKeyWOIDKXFXDJYPHS-SVFBPWRDSA-N
MW525.40 g/mol
LogP8.33
Rot. Bonds10

About (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride

(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride (PubChem CID 10864320) has the molecular formula C24H53ClO4Si3 and a molecular weight of 525.40 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride
PubChem CID10864320
Molecular FormulaC24H53ClO4Si3
Molecular Weight525.40 g/mol
Exact Mass524.29
IUPAC Name(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(=O)Cl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H53ClO4Si3/c1-18(27-30(11,12)22(2,3)4)21(29-32(15,16)24(8,9)10)19(17-20(25)26)28-31(13,14)23(5,6)7/h18-19,21H,17H2,1-16H3/t18-,19+,21-/m1/s1
InChIKeyWOIDKXFXDJYPHS-SVFBPWRDSA-N
XLogP8.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.40
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhex-5-enoic acid
CID 11188272
[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane
CID 14281434
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
S-ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanethioate
CID 10850104
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
CID 76827468
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol
CID 11732481
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride?
The IUPAC name of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride (CID 10864320) is (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride.
What is the SMILES notation for (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride?
The canonical SMILES for (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(=O)Cl)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride?
The InChIKey is WOIDKXFXDJYPHS-SVFBPWRDSA-N. The full InChI is InChI=1S/C24H53ClO4Si3/c1-18(27-30(11,12)22(2,3)4)21(29-32(15,16)24(8,9)10)19(17-20(25)26)28-31(13,14)23(5,6)7/h18-19,21H,17H2,1-16H3/t18-,19+,21-/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride?
(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride has a molecular weight of 525.40 g/mol, XLogP of 8.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride is sourced from PubChem (CID 10864320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).