(3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid

C14H28O5Si — CID 58769367

IUPAC(3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid
SMILESC[C@H](CC(=O)O)OC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-10(8-12(15)16)18-13(17)9-11(2)19-20(6,7)14(3,4)5/h10-11H,8-9H2,1-7H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyHTIGHAZHLSMUJF-MNOVXSKESA-N
MW304.46 g/mol
LogP3.19
Rot. Bonds7

About (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid

(3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid (PubChem CID 58769367) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid
PubChem CID58769367
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid
SMILESC[C@H](CC(=O)O)OC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-10(8-12(15)16)18-13(17)9-11(2)19-20(6,7)14(3,4)5/h10-11H,8-9H2,1-7H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyHTIGHAZHLSMUJF-MNOVXSKESA-N
XLogP3.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid?
The IUPAC name of (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid (CID 58769367) is (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid.
What is the SMILES notation for (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid?
The canonical SMILES for (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid is C[C@H](CC(=O)O)OC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid?
The InChIKey is HTIGHAZHLSMUJF-MNOVXSKESA-N. The full InChI is InChI=1S/C14H28O5Si/c1-10(8-12(15)16)18-13(17)9-11(2)19-20(6,7)14(3,4)5/h10-11H,8-9H2,1-7H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid?
(3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid has a molecular weight of 304.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxybutanoic acid is sourced from PubChem (CID 58769367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).