tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane

C18H38O5Si2 — CID 134836950

IUPACtert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCOCO[C@H]1CC=C(O[Si](C)(C)C)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-18(2,3)25(9,10)23-17-14(21-13-19-4)11-12-15(16(17)20-5)22-24(6,7)8/h12,14,16-17H,11,13H2,1-10H3/t14-,16+,17+/m0/s1
InChIKeyJPIVUASEGGFWKO-USXIJHARSA-N
MW390.67 g/mol
LogP4.52
Rot. Bonds8

About tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 134836950) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID134836950
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Nametert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCOCO[C@H]1CC=C(O[Si](C)(C)C)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-18(2,3)25(9,10)23-17-14(21-13-19-4)11-12-15(16(17)20-5)22-24(6,7)8/h12,14,16-17H,11,13H2,1-10H3/t14-,16+,17+/m0/s1
InChIKeyJPIVUASEGGFWKO-USXIJHARSA-N
XLogP4.52
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11513219
tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane
CID 11568750
tert-butyl-[(2S,4S,5S,6E,8E)-4-[tert-butyl(dimethyl)silyl]oxy-9-iodo-5-(methoxymethoxy)-7-methylnona-6,8-dien-2-yl]oxy-dimethylsilane
CID 11621230
[(2E,4Z,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11693315
tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
2-[2-(tert-Butyldimethylsilanyloxy)ethyl]-6-[6-(tert-butyldimethylsilanyloxyhept-1-en 3-(2-methoxyethoxymethoxy)tetrahydropyran
CID 46894696
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate
CID 134836941
tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane
CID 134837047
tert-butyl-[[(1R,2S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane
CID 21595995
(4S,5S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-[(E)-2-methylbut-1-enyl]-1,3-dioxolan-2-one
CID 140658608
[(3aR,4S,5S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169294482
tert-butyl-[[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 173844225

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane (CID 134836950) is tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane is COCO[C@H]1CC=C(O[Si](C)(C)C)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is JPIVUASEGGFWKO-USXIJHARSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-18(2,3)25(9,10)23-17-14(21-13-19-4)11-12-15(16(17)20-5)22-24(6,7)8/h12,14,16-17H,11,13H2,1-10H3/t14-,16+,17+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 390.67 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134836950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).