(2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one

C14H29IOSi — CID 134883463

IUPAC(2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one
SMILESCCCC(C)(C)[Si](C)(C)[C@@H](C)C(=O)[C@@H](I)CC
InChIInChI=1S/C14H29IOSi/c1-8-10-14(4,5)17(6,7)11(3)13(16)12(15)9-2/h11-12H,8-10H2,1-7H3/t11-,12-/m0/s1
InChIKeyPFLWEHMMKGVNAX-RYUDHWBXSA-N
MW368.38 g/mol
LogP5.45
Rot. Bonds7

About (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one

(2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one (PubChem CID 134883463) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one.

Molecular Properties

Compound Name(2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one
PubChem CID134883463
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name(2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one
SMILESCCCC(C)(C)[Si](C)(C)[C@@H](C)C(=O)[C@@H](I)CC
InChIInChI=1S/C14H29IOSi/c1-8-10-14(4,5)17(6,7)11(3)13(16)12(15)9-2/h11-12H,8-10H2,1-7H3/t11-,12-/m0/s1
InChIKeyPFLWEHMMKGVNAX-RYUDHWBXSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-3-[tert-butyl(dimethyl)silyl]-5-iodooctan-4-one
CID 11760361
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
5-Methyl-1-trimethylsilylhexan-3-one
CID 14112751
5,5-Dimethyl-1-trimethylsilylhexan-3-one
CID 100921794
(3R,5R)-3-[tert-butyl(dimethyl)silyl]-5-iodoheptan-4-one
CID 100982662
(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one
CID 100982664
(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one
CID 134897153
2,4-Dimethyl-1-trimethylsilylhexan-3-one
CID 14902795
CID 54316608
CID 54316608
4-Methyl-5-(trimethylsilyl)pentan-2-one
CID 86643788
6-[Dimethyl-(4-methyl-3-oxopentyl)silyl]-2-methylhexan-3-one
CID 141683006
1-(1-Trimethylsilylcyclopropyl)propan-1-one
CID 10797257

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one?
The IUPAC name of (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one (CID 134883463) is (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one.
What is the SMILES notation for (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one?
The canonical SMILES for (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one is CCCC(C)(C)[Si](C)(C)[C@@H](C)C(=O)[C@@H](I)CC.
What is the InChIKey of (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one?
The InChIKey is PFLWEHMMKGVNAX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-8-10-14(4,5)17(6,7)11(3)13(16)12(15)9-2/h11-12H,8-10H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one?
(2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one has a molecular weight of 368.38 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[dimethyl(2-methylpentan-2-yl)silyl]-4-iodohexan-3-one is sourced from PubChem (CID 134883463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).