(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one

C15H31IOSi — CID 100982664

IUPAC(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one
SMILESCCC[C@@H](I)C(=O)[C@@H](CCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IOSi/c1-8-10-12(16)14(17)13(11-9-2)18(6,7)15(3,4)5/h12-13H,8-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyZZDGNCZYIIBICQ-CHWSQXEVSA-N
MW382.40 g/mol
LogP5.84
Rot. Bonds7

About (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one

(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one (PubChem CID 100982664) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one.

Molecular Properties

Compound Name(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one
PubChem CID100982664
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one
SMILESCCC[C@@H](I)C(=O)[C@@H](CCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IOSi/c1-8-10-12(16)14(17)13(11-9-2)18(6,7)15(3,4)5/h12-13H,8-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyZZDGNCZYIIBICQ-CHWSQXEVSA-N
XLogP5.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.84
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

3,3-Difluoro-1-iodo-1-trimethylsilyloctan-4-one
CID 11002939
(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339848
(4R,6S)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339847
1-Trimethylsilyloctan-4-one
CID 60040811
1-Triethylsilyloctan-3-one
CID 10332003
(3S,5S)-3-[tert-butyl(dimethyl)silyl]-5-iodooctan-4-one
CID 11760361
4-Trimethylsilyldecan-5-one
CID 12524697
1-[Tert-butyl(dimethyl)silyl]hexan-2-one
CID 15033607
2-[Tert-butyl(dimethyl)silyl]heptan-3-one
CID 15033609
3-[Tert-butyl(dimethyl)silyl]octan-4-one
CID 15033610
(4R)-4-[tert-butyl(dimethyl)silyl]nonan-5-one
CID 15317229
(3R)-3-[tert-butyl(dimethyl)silyl]heptan-4-one
CID 15339844

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one?
The IUPAC name of (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one (CID 100982664) is (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one.
What is the SMILES notation for (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one?
The canonical SMILES for (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one is CCC[C@@H](I)C(=O)[C@@H](CCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one?
The InChIKey is ZZDGNCZYIIBICQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-8-10-12(16)14(17)13(11-9-2)18(6,7)15(3,4)5/h12-13H,8-11H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one?
(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one has a molecular weight of 382.40 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-iodononan-5-one is sourced from PubChem (CID 100982664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).