2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one

C9H20O6Si — CID 22114625

IUPAC2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one
SMILESC[Si](C)(C)C(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C9H20O6Si/c1-16(2,3)9(15)8(14)7(13)6(12)5(11)4-10/h5-8,10-14H,4H2,1-3H3
InChIKeyTYNKHEKALKCUBV-UHFFFAOYSA-N
MW252.34 g/mol
LogP-2.13
Rot. Bonds6

About 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one

2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one (PubChem CID 22114625) has the molecular formula C9H20O6Si and a molecular weight of 252.34 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one
PubChem CID22114625
Molecular FormulaC9H20O6Si
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one
SMILESC[Si](C)(C)C(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C9H20O6Si/c1-16(2,3)9(15)8(14)7(13)6(12)5(11)4-10/h5-8,10-14H,4H2,1-3H3
InChIKeyTYNKHEKALKCUBV-UHFFFAOYSA-N
XLogP-2.13
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one?
The IUPAC name of 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one (CID 22114625) is 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one.
What is the SMILES notation for 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one?
The canonical SMILES for 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one is C[Si](C)(C)C(=O)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one?
The InChIKey is TYNKHEKALKCUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6Si/c1-16(2,3)9(15)8(14)7(13)6(12)5(11)4-10/h5-8,10-14H,4H2,1-3H3.
What are the key properties of 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one?
2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one has a molecular weight of 252.34 g/mol, XLogP of -2.13, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxy-1-trimethylsilylhexan-1-one is sourced from PubChem (CID 22114625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).