(E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol

C19H40O4Si — CID 11792898

IUPAC(E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol
SMILESCOCO[C@H]([C@H](C)CC/C=C/CO)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-16(12-10-9-11-13-20)18(22-15-21-6)17(2)14-23-24(7,8)19(3,4)5/h9,11,16-18,20H,10,12-15H2,1-8H3/b11-9+/t16-,17-,18-/m1/s1
InChIKeyIRYUDRCFKDPJTD-INCNJYEWSA-N
MW360.61 g/mol
LogP4.60
Rot. Bonds12

About (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol

(E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol (PubChem CID 11792898) has the molecular formula C19H40O4Si and a molecular weight of 360.61 g/mol. Its IUPAC name is (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol.

Molecular Properties

Compound Name(E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol
PubChem CID11792898
Molecular FormulaC19H40O4Si
Molecular Weight360.61 g/mol
Exact Mass360.27
IUPAC Name(E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol
SMILESCOCO[C@H]([C@H](C)CC/C=C/CO)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-16(12-10-9-11-13-20)18(22-15-21-6)17(2)14-23-24(7,8)19(3,4)5/h9,11,16-18,20H,10,12-15H2,1-8H3/b11-9+/t16-,17-,18-/m1/s1
InChIKeyIRYUDRCFKDPJTD-INCNJYEWSA-N
XLogP4.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-en-1-ol
CID 12158800
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-yn-1-ol
CID 134866331
(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
CID 134875286
(2S,3E,5R,6S,7S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 57586764
(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 57586772
(3R,4S,5Z,8S,9R,10R,11S,13Z)-9-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6,8,10,11,12-heptamethylhexadeca-5,13-dien-1-ol
CID 58346380
(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol
CID 58762115
(2S,3E,5S,6S,7S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 88399248
(2E)-2-[(3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethanol
CID 89185521
(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethanol
CID 89345738
(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 90700206

Frequently Asked Questions

What is the IUPAC name of (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol?
The IUPAC name of (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol (CID 11792898) is (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol.
What is the SMILES notation for (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol?
The canonical SMILES for (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol is COCO[C@H]([C@H](C)CC/C=C/CO)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol?
The InChIKey is IRYUDRCFKDPJTD-INCNJYEWSA-N. The full InChI is InChI=1S/C19H40O4Si/c1-16(12-10-9-11-13-20)18(22-15-21-6)17(2)14-23-24(7,8)19(3,4)5/h9,11,16-18,20H,10,12-15H2,1-8H3/b11-9+/t16-,17-,18-/m1/s1.
What are the key properties of (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol?
(E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol has a molecular weight of 360.61 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-2-en-1-ol is sourced from PubChem (CID 11792898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).