tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane

C13H27IOSi — CID 10570101

IUPACtert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/I
InChIInChI=1S/C13H27IOSi/c1-8-12(11(2)9-10-14)15-16(6,7)13(3,4)5/h9-12H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1
InChIKeyNICHRSBTMAEEKH-CZHKVUGUSA-N
MW354.35 g/mol
LogP5.37
Rot. Bonds5

About tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 10570101) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID10570101
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/I
InChIInChI=1S/C13H27IOSi/c1-8-12(11(2)9-10-14)15-16(6,7)13(3,4)5/h9-12H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1
InChIKeyNICHRSBTMAEEKH-CZHKVUGUSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane (CID 10570101) is tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/I.
What is the InChIKey of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is NICHRSBTMAEEKH-CZHKVUGUSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-8-12(11(2)9-10-14)15-16(6,7)13(3,4)5/h9-12H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1.
What are the key properties of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R,4R)-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10570101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).