(2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol

C9H22O6Si — CID 77134629

IUPAC(2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol
SMILESC[Si](C)(C)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H22O6Si/c1-16(2,3)9(15)8(14)7(13)6(12)5(11)4-10/h5-15H,4H2,1-3H3/t5-,6-,7+,8+,9?/m1/s1
InChIKeyQBPZKJUXNUOPFU-PPRREVKSSA-N
MW254.35 g/mol
LogP-2.34
Rot. Bonds6

About (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol

(2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol (PubChem CID 77134629) has the molecular formula C9H22O6Si and a molecular weight of 254.35 g/mol. Its IUPAC name is (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol
PubChem CID77134629
Molecular FormulaC9H22O6Si
Molecular Weight254.35 g/mol
Exact Mass254.12
IUPAC Name(2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol
SMILESC[Si](C)(C)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H22O6Si/c1-16(2,3)9(15)8(14)7(13)6(12)5(11)4-10/h5-15H,4H2,1-3H3/t5-,6-,7+,8+,9?/m1/s1
InChIKeyQBPZKJUXNUOPFU-PPRREVKSSA-N
XLogP-2.34
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.35
LogP ≤ 5-2.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol with MolForge

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Related Compounds

Sorbityl Silanediol
CID 129628033
TMS-Sorbitol
CID 129724359
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
CID 44604185
(3S,4R,5R)-4-((tert-butyldimethylsilyl)oxy)-5-((R)-1-hydroxyethyl)tetrahydrofuran-3-ol
CID 91758705
(3R,4R,5R)-4-((tert-butyldimethylsilyl)oxy)-5-((S)-1-hydroxyethyl)tetrahydrofuran-3-ol
CID 91758719
Hexatrimethylsilyl mannitol
CID 129674259
d-Mannitol tms ether
CID 129819415
Glucitol tms ether
CID 129819422
Ribitol tms ether
CID 129819424
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
CID 134859677
(2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol
CID 135011216
(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
CID 135014704

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol (CID 77134629) is (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol is C[Si](C)(C)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol?
The InChIKey is QBPZKJUXNUOPFU-PPRREVKSSA-N. The full InChI is InChI=1S/C9H22O6Si/c1-16(2,3)9(15)8(14)7(13)6(12)5(11)4-10/h5-15H,4H2,1-3H3/t5-,6-,7+,8+,9?/m1/s1.
What are the key properties of (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol?
(2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol has a molecular weight of 254.35 g/mol, XLogP of -2.34, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-1-trimethylsilylhexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 77134629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).