1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate

C9H22O7Si — CID 141039341

IUPAC1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
SMILESCO[Si](CCCC(=O)C(O)CO)(OC)OC.O
InChIInChI=1S/C9H20O6Si.H2O/c1-13-16(14-2,15-3)6-4-5-8(11)9(12)7-10;/h9-10,12H,4-7H2,1-3H3;1H2
InChIKeyAHFWCBXHWVEAAM-UHFFFAOYSA-N
MW270.35 g/mol
LogP-1.26
Rot. Bonds9

About 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate

1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate (PubChem CID 141039341) has the molecular formula C9H22O7Si and a molecular weight of 270.35 g/mol. Its IUPAC name is 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate.

Molecular Properties

Compound Name1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
PubChem CID141039341
Molecular FormulaC9H22O7Si
Molecular Weight270.35 g/mol
Exact Mass270.11
IUPAC Name1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
SMILESCO[Si](CCCC(=O)C(O)CO)(OC)OC.O
InChIInChI=1S/C9H20O6Si.H2O/c1-13-16(14-2,15-3)6-4-5-8(11)9(12)7-10;/h9-10,12H,4-7H2,1-3H3;1H2
InChIKeyAHFWCBXHWVEAAM-UHFFFAOYSA-N
XLogP-1.26
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
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 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate?
The IUPAC name of 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate (CID 141039341) is 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate.
What is the SMILES notation for 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate?
The canonical SMILES for 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate is CO[Si](CCCC(=O)C(O)CO)(OC)OC.O.
What is the InChIKey of 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate?
The InChIKey is AHFWCBXHWVEAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6Si.H2O/c1-13-16(14-2,15-3)6-4-5-8(11)9(12)7-10;/h9-10,12H,4-7H2,1-3H3;1H2.
What are the key properties of 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate?
1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate has a molecular weight of 270.35 g/mol, XLogP of -1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate is sourced from PubChem (CID 141039341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).