(6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one

C15H29IO3Si — CID 102319320

IUPAC(6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@H](I)CCCC(=O)O1
InChIInChI=1S/C15H29IO3Si/c1-15(2,3)20(4,5)18-10-9-13-11-12(16)7-6-8-14(17)19-13/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKeyRVKIDASCZBEFQX-CHWSQXEVSA-N
MW412.38 g/mol
LogP4.69
Rot. Bonds4

About (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one

(6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one (PubChem CID 102319320) has the molecular formula C15H29IO3Si and a molecular weight of 412.38 g/mol. Its IUPAC name is (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one.

Molecular Properties

Compound Name(6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one
PubChem CID102319320
Molecular FormulaC15H29IO3Si
Molecular Weight412.38 g/mol
Exact Mass412.09
IUPAC Name(6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@H](I)CCCC(=O)O1
InChIInChI=1S/C15H29IO3Si/c1-15(2,3)20(4,5)18-10-9-13-11-12(16)7-6-8-14(17)19-13/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKeyRVKIDASCZBEFQX-CHWSQXEVSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 71762485
[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 11459641
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
(3aS,4S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-7a-ol
CID 101251160
[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-[2-(6-oxooxan-2-yl)ethyl]cyclopentyl] acetate
CID 18642491
tert-butyl-dimethyl-[2-[(2R,3S)-3-methyl-6-methylideneoxan-2-yl]ethoxy]silane
CID 10564008
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
CID 123213650
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one
CID 135023286
N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine
CID 10805103
13-propyl-oxacyclotridecan-2-one
CID 54410072
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one?
The IUPAC name of (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one (CID 102319320) is (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one.
What is the SMILES notation for (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one?
The canonical SMILES for (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@H](I)CCCC(=O)O1.
What is the InChIKey of (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one?
The InChIKey is RVKIDASCZBEFQX-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H29IO3Si/c1-15(2,3)20(4,5)18-10-9-13-11-12(16)7-6-8-14(17)19-13/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one?
(6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one has a molecular weight of 412.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-iodooxocan-2-one is sourced from PubChem (CID 102319320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).