tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane

C12H27IO2Si — CID 10498589

IUPACtert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane
SMILESCO[C@@H](CCI)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27IO2Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h11H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyVPDIJURKYXGQOY-NSHDSACASA-N
MW358.34 g/mol
LogP4.24
Rot. Bonds7

About tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane

tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane (PubChem CID 10498589) has the molecular formula C12H27IO2Si and a molecular weight of 358.34 g/mol. Its IUPAC name is tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane
PubChem CID10498589
Molecular FormulaC12H27IO2Si
Molecular Weight358.34 g/mol
Exact Mass358.08
IUPAC Nametert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane
SMILESCO[C@@H](CCI)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27IO2Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h11H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyVPDIJURKYXGQOY-NSHDSACASA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
[(4R,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11152254
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]ethanamine
CID 11427595
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane (CID 10498589) is tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane is CO[C@@H](CCI)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane?
The InChIKey is VPDIJURKYXGQOY-NSHDSACASA-N. The full InChI is InChI=1S/C12H27IO2Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h11H,7-10H2,1-6H3/t11-/m0/s1.
What are the key properties of tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane?
tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane has a molecular weight of 358.34 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-5-iodo-3-methoxypentoxy]-dimethylsilane is sourced from PubChem (CID 10498589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).