tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane

C16H35IOSi — CID 140734279

IUPACtert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
SMILESCCCCCCC[C@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H35IOSi/c1-7-8-9-10-11-12-15(13-14-17)18-19(5,6)16(2,3)4/h15H,7-14H2,1-6H3/t15-/m1/s1
InChIKeyRVZIPDPQFPFFGU-OAHLLOKOSA-N
MW398.45 g/mol
LogP6.56
Rot. Bonds10

About tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane

tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane (PubChem CID 140734279) has the molecular formula C16H35IOSi and a molecular weight of 398.45 g/mol. Its IUPAC name is tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
PubChem CID140734279
Molecular FormulaC16H35IOSi
Molecular Weight398.45 g/mol
Exact Mass398.15
IUPAC Nametert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
SMILESCCCCCCC[C@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H35IOSi/c1-7-8-9-10-11-12-15(13-14-17)18-19(5,6)16(2,3)4/h15H,7-14H2,1-6H3/t15-/m1/s1
InChIKeyRVZIPDPQFPFFGU-OAHLLOKOSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane
CID 57257200
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propane-1-thiol
CID 172557041

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane (CID 140734279) is tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane is CCCCCCC[C@H](CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane?
The InChIKey is RVZIPDPQFPFFGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H35IOSi/c1-7-8-9-10-11-12-15(13-14-17)18-19(5,6)16(2,3)4/h15H,7-14H2,1-6H3/t15-/m1/s1.
What are the key properties of tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane has a molecular weight of 398.45 g/mol, XLogP of 6.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 140734279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).