tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane

C37H76I2O4Si2 — CID 123932502

IUPACtert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane
SMILESCC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI.COCO[C@@H](C(C)CO[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)I
InChIInChI=1S/C20H41IOSi.C17H35IO3Si/c1-11-12-13-15(2)17(4)18(5)19(16(3)14-21)22-23(9,10)20(6,7)8;1-13(10-15(3)18)16(20-12-19-7)14(2)11-21-22(8,9)17(4,5)6/h12-13,15-19H,11,14H2,1-10H3;10,13-14,16H,11-12H2,1-9H3/b13-12-;15-10-/t15?,16-,17-,18+,19+;13-,14?,16+/m00/s1
InChIKeyVPNBTZSAYSHHPJ-WIOPEDJLSA-N
MW894.99 g/mol
LogP12.93
Rot. Bonds18

About tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane

tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane (PubChem CID 123932502) has the molecular formula C37H76I2O4Si2 and a molecular weight of 894.99 g/mol. Its IUPAC name is tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane
PubChem CID123932502
Molecular FormulaC37H76I2O4Si2
Molecular Weight894.99 g/mol
Exact Mass894.34
IUPAC Nametert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane
SMILESCC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI.COCO[C@@H](C(C)CO[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)I
InChIInChI=1S/C20H41IOSi.C17H35IO3Si/c1-11-12-13-15(2)17(4)18(5)19(16(3)14-21)22-23(9,10)20(6,7)8;1-13(10-15(3)18)16(20-12-19-7)14(2)11-21-22(8,9)17(4,5)6/h12-13,15-19H,11,14H2,1-10H3;10,13-14,16H,11-12H2,1-9H3/b13-12-;15-10-/t15?,16-,17-,18+,19+;13-,14?,16+/m00/s1
InChIKeyVPNBTZSAYSHHPJ-WIOPEDJLSA-N
XLogP12.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.99
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane (CID 123932502) is tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane is CC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI.COCO[C@@H](C(C)CO[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)I.
What is the InChIKey of tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
The InChIKey is VPNBTZSAYSHHPJ-WIOPEDJLSA-N. The full InChI is InChI=1S/C20H41IOSi.C17H35IO3Si/c1-11-12-13-15(2)17(4)18(5)19(16(3)14-21)22-23(9,10)20(6,7)8;1-13(10-15(3)18)16(20-12-19-7)14(2)11-21-22(8,9)17(4,5)6/h12-13,15-19H,11,14H2,1-10H3;10,13-14,16H,11-12H2,1-9H3/b13-12-;15-10-/t15?,16-,17-,18+,19+;13-,14?,16+/m00/s1.
What are the key properties of tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane has a molecular weight of 894.99 g/mol, XLogP of 12.93, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane;tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 123932502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).