tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane

C20H41IO2Si2 — CID 138977255

IUPACtert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](C/C=C\I)O[Si](C)(C)C
InChIInChI=1S/C20H41IO2Si2/c1-12-14-17(23-25(10,11)19(2,3)4)20(5,6)18(15-13-16-21)22-24(7,8)9/h12-14,16-18H,15H2,1-11H3/b14-12+,16-13-/t17-,18-/m0/s1
InChIKeyFELVXFXRAYPXSW-RSWXNGJLSA-N
MW496.62 g/mol
LogP7.54
Rot. Bonds9

About tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane

tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane (PubChem CID 138977255) has the molecular formula C20H41IO2Si2 and a molecular weight of 496.62 g/mol. Its IUPAC name is tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
PubChem CID138977255
Molecular FormulaC20H41IO2Si2
Molecular Weight496.62 g/mol
Exact Mass496.17
IUPAC Nametert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](C/C=C\I)O[Si](C)(C)C
InChIInChI=1S/C20H41IO2Si2/c1-12-14-17(23-25(10,11)19(2,3)4)20(5,6)18(15-13-16-21)22-24(7,8)9/h12-14,16-18H,15H2,1-11H3/b14-12+,16-13-/t17-,18-/m0/s1
InChIKeyFELVXFXRAYPXSW-RSWXNGJLSA-N
XLogP7.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane (CID 138977255) is tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](C/C=C\I)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?
The InChIKey is FELVXFXRAYPXSW-RSWXNGJLSA-N. The full InChI is InChI=1S/C20H41IO2Si2/c1-12-14-17(23-25(10,11)19(2,3)4)20(5,6)18(15-13-16-21)22-24(7,8)9/h12-14,16-18H,15H2,1-11H3/b14-12+,16-13-/t17-,18-/m0/s1.
What are the key properties of tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?
tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane has a molecular weight of 496.62 g/mol, XLogP of 7.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 138977255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).