(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol

C16H36O3Si — CID 12020419

IUPAC(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
SMILESCC(C)C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si/c1-11(2)10-14(17)12(3)15(18)13(4)19-20(8,9)16(5,6)7/h11-15,17-18H,10H2,1-9H3/t12-,13+,14+,15+/m1/s1
InChIKeyQLOGIPNIZCWSSC-QPSCCSFWSA-N
MW304.55 g/mol
LogP3.80
Rot. Bonds7

About (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol

(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol (PubChem CID 12020419) has the molecular formula C16H36O3Si and a molecular weight of 304.55 g/mol. Its IUPAC name is (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
PubChem CID12020419
Molecular FormulaC16H36O3Si
Molecular Weight304.55 g/mol
Exact Mass304.24
IUPAC Name(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
SMILESCC(C)C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si/c1-11(2)10-14(17)12(3)15(18)13(4)19-20(8,9)16(5,6)7/h11-15,17-18H,10H2,1-9H3/t12-,13+,14+,15+/m1/s1
InChIKeyQLOGIPNIZCWSSC-QPSCCSFWSA-N
XLogP3.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol?
The IUPAC name of (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol (CID 12020419) is (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol.
What is the SMILES notation for (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol?
The canonical SMILES for (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol is CC(C)C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol?
The InChIKey is QLOGIPNIZCWSSC-QPSCCSFWSA-N. The full InChI is InChI=1S/C16H36O3Si/c1-11(2)10-14(17)12(3)15(18)13(4)19-20(8,9)16(5,6)7/h11-15,17-18H,10H2,1-9H3/t12-,13+,14+,15+/m1/s1.
What are the key properties of (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol?
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol has a molecular weight of 304.55 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol is sourced from PubChem (CID 12020419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).