(5S)-5-trimethylsilylhexan-3-one

C9H20OSi — CID 11041187

IUPAC(5S)-5-trimethylsilylhexan-3-one
SMILESCCC(=O)C[C@H](C)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-6-9(10)7-8(2)11(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyBXNHCILMPSRVMP-QMMMGPOBSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds4

About (5S)-5-trimethylsilylhexan-3-one

(5S)-5-trimethylsilylhexan-3-one (PubChem CID 11041187) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is (5S)-5-trimethylsilylhexan-3-one.

Molecular Properties

Compound Name(5S)-5-trimethylsilylhexan-3-one
PubChem CID11041187
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(5S)-5-trimethylsilylhexan-3-one
SMILESCCC(=O)C[C@H](C)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-6-9(10)7-8(2)11(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyBXNHCILMPSRVMP-QMMMGPOBSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl(1-oxohexyl)-
CID 163012
(3R,5R)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339846
1-(Trimethylsilyl)hex-1-yn-3-one
CID 337061
4-(Trimethylsilyl)cyclohexanone
CID 4060849
6-(Trimethylsilyl)hex-5-yn-2-one
CID 11182860
3-Trimethylsilylcyclopentan-1-one
CID 14001618
6-Trimethylsilylhexan-4-one
CID 14112750
(3R,5S)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339845
Silacyclooctan-5-one, 1,1-dimethyl-
CID 575201
1-Trimethylsilylpentan-2-one
CID 12457306
2-[Tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775509
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613

Frequently Asked Questions

What is the IUPAC name of (5S)-5-trimethylsilylhexan-3-one?
The IUPAC name of (5S)-5-trimethylsilylhexan-3-one (CID 11041187) is (5S)-5-trimethylsilylhexan-3-one.
What is the SMILES notation for (5S)-5-trimethylsilylhexan-3-one?
The canonical SMILES for (5S)-5-trimethylsilylhexan-3-one is CCC(=O)C[C@H](C)[Si](C)(C)C.
What is the InChIKey of (5S)-5-trimethylsilylhexan-3-one?
The InChIKey is BXNHCILMPSRVMP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20OSi/c1-6-9(10)7-8(2)11(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (5S)-5-trimethylsilylhexan-3-one?
(5S)-5-trimethylsilylhexan-3-one has a molecular weight of 172.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-trimethylsilylhexan-3-one is sourced from PubChem (CID 11041187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).