(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one

C14H30OSi — CID 134897153

IUPAC(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one
SMILESCCCC(=O)[C@H](C)[Si](C)(C)C(C)(C)CCC
InChIInChI=1S/C14H30OSi/c1-8-10-13(15)12(3)16(6,7)14(4,5)11-9-2/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyAJCKJKPUQQCCPX-LBPRGKRZSA-N
MW242.48 g/mol
LogP5.03
Rot. Bonds7

About (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one

(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one (PubChem CID 134897153) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one.

Molecular Properties

Compound Name(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one
PubChem CID134897153
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one
SMILESCCCC(=O)[C@H](C)[Si](C)(C)C(C)(C)CCC
InChIInChI=1S/C14H30OSi/c1-8-10-13(15)12(3)16(6,7)14(4,5)11-9-2/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyAJCKJKPUQQCCPX-LBPRGKRZSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.03
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

6-Trimethylsilylhexan-4-one
CID 14112750
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
4,5,5-Trifluoro-4-methyl-1-trimethylsilylhexan-3-one
CID 57591954
5-(Trimethylsilyl)-2-pentanone
CID 575386
6-Trimethylsilylhexan-2-one
CID 10080847
(5S)-5-trimethylsilylhexan-3-one
CID 11041187
(2R)-2-[tert-butyl(dimethyl)silyl]pentan-3-one
CID 11745677
5-Methyl-3-(trimethylsilylmethyl)hexan-2-one
CID 12607716
4-Methyl-1-trimethylsilylpentan-3-one
CID 12607719
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one?
The IUPAC name of (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one (CID 134897153) is (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one.
What is the SMILES notation for (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one?
The canonical SMILES for (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one is CCCC(=O)[C@H](C)[Si](C)(C)C(C)(C)CCC.
What is the InChIKey of (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one?
The InChIKey is AJCKJKPUQQCCPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30OSi/c1-8-10-13(15)12(3)16(6,7)14(4,5)11-9-2/h12H,8-11H2,1-7H3/t12-/m0/s1.
What are the key properties of (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one?
(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one has a molecular weight of 242.48 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one is sourced from PubChem (CID 134897153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).