hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane

C17H35IO3Si — CID 88558913

IUPAChydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane
SMILESCOCO[C@@H](C(C)CCC(C)(C)[Si](C)(C)O)[C@@H](C)/C=C(/C)I
InChIInChI=1S/C17H35IO3Si/c1-13(9-10-17(4,5)22(7,8)19)16(21-12-20-6)14(2)11-15(3)18/h11,13-14,16,19H,9-10,12H2,1-8H3/b15-11-/t13?,14-,16-/m0/s1
InChIKeyLVGMWXAFQZQXLN-ATSFCOHTSA-N
MW442.45 g/mol
LogP5.34
Rot. Bonds10

About hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane

hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane (PubChem CID 88558913) has the molecular formula C17H35IO3Si and a molecular weight of 442.45 g/mol. Its IUPAC name is hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane
PubChem CID88558913
Molecular FormulaC17H35IO3Si
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC Namehydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane
SMILESCOCO[C@@H](C(C)CCC(C)(C)[Si](C)(C)O)[C@@H](C)/C=C(/C)I
InChIInChI=1S/C17H35IO3Si/c1-13(9-10-17(4,5)22(7,8)19)16(21-12-20-6)14(2)11-15(3)18/h11,13-14,16,19H,9-10,12H2,1-8H3/b15-11-/t13?,14-,16-/m0/s1
InChIKeyLVGMWXAFQZQXLN-ATSFCOHTSA-N
XLogP5.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z,2S,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 46934166
tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 58346375
tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane
CID 58346376
tert-butyl-[(3R,4S,5S,6S,8E,10R,12E)-4,12-diethyl-3-(methoxymethoxy)-6,8,10-trimethylhexadeca-8,12-dien-5-yl]oxy-dimethylsilane
CID 11706179
tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane
CID 72713561
[(E,4S,5R,6R,7S)-1-iodo-6-(methoxymethoxy)-5,7-dimethylnon-1-en-4-yl]oxy-tri(propan-2-yl)silane
CID 101356095
tert-butyl-[(E,2S,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 101800850

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane?
The IUPAC name of hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane (CID 88558913) is hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane.
What is the SMILES notation for hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane?
The canonical SMILES for hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane is COCO[C@@H](C(C)CCC(C)(C)[Si](C)(C)O)[C@@H](C)/C=C(/C)I.
What is the InChIKey of hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane?
The InChIKey is LVGMWXAFQZQXLN-ATSFCOHTSA-N. The full InChI is InChI=1S/C17H35IO3Si/c1-13(9-10-17(4,5)22(7,8)19)16(21-12-20-6)14(2)11-15(3)18/h11,13-14,16,19H,9-10,12H2,1-8H3/b15-11-/t13?,14-,16-/m0/s1.
What are the key properties of hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane?
hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane has a molecular weight of 442.45 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(Z,6S,7S)-9-iodo-6-(methoxymethoxy)-2,5,7-trimethyldec-8-en-2-yl]-dimethylsilane is sourced from PubChem (CID 88558913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).