tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane

C12H25IOSi — CID 102090847

IUPACtert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)I
InChIInChI=1S/C12H25IOSi/c1-8-9-11(10(2)13)14-15(6,7)12(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11+/m0/s1
InChIKeyPRPSHHZORYPCFG-WDEREUQCSA-N
MW340.32 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 102090847) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
PubChem CID102090847
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Nametert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)I
InChIInChI=1S/C12H25IOSi/c1-8-9-11(10(2)13)14-15(6,7)12(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11+/m0/s1
InChIKeyPRPSHHZORYPCFG-WDEREUQCSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.78
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodohept-6-en-1-ol
CID 102090845
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine
CID 134860012
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 10524787
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane (CID 102090847) is tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane is C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)I.
What is the InChIKey of tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is PRPSHHZORYPCFG-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-8-9-11(10(2)13)14-15(6,7)12(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 102090847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).