1,2-dihydroxy-6-trimethylsilylhexan-3-one

C9H20O3Si — CID 169088069

IUPAC1,2-dihydroxy-6-trimethylsilylhexan-3-one
SMILESC[Si](C)(C)CCCC(=O)C(O)CO
InChIInChI=1S/C9H20O3Si/c1-13(2,3)6-4-5-8(11)9(12)7-10/h9-10,12H,4-7H2,1-3H3
InChIKeyNNLCQHIQUPWWDR-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.03
Rot. Bonds6

About 1,2-dihydroxy-6-trimethylsilylhexan-3-one

1,2-dihydroxy-6-trimethylsilylhexan-3-one (PubChem CID 169088069) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is 1,2-dihydroxy-6-trimethylsilylhexan-3-one.

Molecular Properties

Compound Name1,2-dihydroxy-6-trimethylsilylhexan-3-one
PubChem CID169088069
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name1,2-dihydroxy-6-trimethylsilylhexan-3-one
SMILESC[Si](C)(C)CCCC(=O)C(O)CO
InChIInChI=1S/C9H20O3Si/c1-13(2,3)6-4-5-8(11)9(12)7-10/h9-10,12H,4-7H2,1-3H3
InChIKeyNNLCQHIQUPWWDR-UHFFFAOYSA-N
XLogP1.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
CID 141039341
20,21-dihydroxy-19-oxohenicosanoic acid
CID 140974702
1,2-dihydroxytetracos-12-en-3-one
CID 172996301
4-trimethylsilylbutanehydrazide;trihydrate
CID 162097019
(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid
CID 87533904
sodium 5-trimethylsilylpentanoate
CID 157288154
(5,6-dihydroxy-4-oxohexyl)-(2,4,4-trimethylpentyl)phosphinic acid
CID 87066118
2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide
CID 72527433
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604
2,2-dimethyl-7-trimethylsilylheptan-3-one
CID 23525952
6-trimethylsilylhexan-1-ol
CID 10888428
1,5-dihydroxyhexacosan-4-one
CID 141328006

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-6-trimethylsilylhexan-3-one?
The IUPAC name of 1,2-dihydroxy-6-trimethylsilylhexan-3-one (CID 169088069) is 1,2-dihydroxy-6-trimethylsilylhexan-3-one.
What is the SMILES notation for 1,2-dihydroxy-6-trimethylsilylhexan-3-one?
The canonical SMILES for 1,2-dihydroxy-6-trimethylsilylhexan-3-one is C[Si](C)(C)CCCC(=O)C(O)CO.
What is the InChIKey of 1,2-dihydroxy-6-trimethylsilylhexan-3-one?
The InChIKey is NNLCQHIQUPWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-13(2,3)6-4-5-8(11)9(12)7-10/h9-10,12H,4-7H2,1-3H3.
What are the key properties of 1,2-dihydroxy-6-trimethylsilylhexan-3-one?
1,2-dihydroxy-6-trimethylsilylhexan-3-one has a molecular weight of 204.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-6-trimethylsilylhexan-3-one is sourced from PubChem (CID 169088069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).