(2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid

C14H28O6Si — CID 71517005

IUPAC(2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C14H28O6Si/c1-14(2,3)21(4,5)20-9-7-6-8-10(15)11(16)12(17)13(18)19/h11-12,16-17H,6-9H2,1-5H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyKWHZIUGYBJOBBF-NWDGAFQWSA-N
MW320.46 g/mol
LogP1.55
Rot. Bonds9

About (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid

(2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid (PubChem CID 71517005) has the molecular formula C14H28O6Si and a molecular weight of 320.46 g/mol. Its IUPAC name is (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid.

Molecular Properties

Compound Name(2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid
PubChem CID71517005
Molecular FormulaC14H28O6Si
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name(2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C14H28O6Si/c1-14(2,3)21(4,5)20-9-7-6-8-10(15)11(16)12(17)13(18)19/h11-12,16-17H,6-9H2,1-5H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyKWHZIUGYBJOBBF-NWDGAFQWSA-N
XLogP1.55
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid?
The IUPAC name of (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid (CID 71517005) is (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid.
What is the SMILES notation for (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid?
The canonical SMILES for (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid is CC(C)(C)[Si](C)(C)OCCCCC(=O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid?
The InChIKey is KWHZIUGYBJOBBF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28O6Si/c1-14(2,3)21(4,5)20-9-7-6-8-10(15)11(16)12(17)13(18)19/h11-12,16-17H,6-9H2,1-5H3,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid?
(2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid has a molecular weight of 320.46 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-oxooctanoic acid is sourced from PubChem (CID 71517005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).