(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane

C18H36O6Si — CID 164606420

IUPAC(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane
SMILESC=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1OCOC
InChIInChI=1S/C18H36O6Si/c1-10-14(21-12-19-8)16-15(22-13-20-9)11-23-25(24-16,17(2,3)4)18(5,6)7/h10,14-16H,1,11-13H2,2-9H3/t14-,15-,16+/m1/s1
InChIKeyZSTJFVUSXXXYNX-OAGGEKHMSA-N
MW376.57 g/mol
LogP3.61
Rot. Bonds8

About (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane

(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane (PubChem CID 164606420) has the molecular formula C18H36O6Si and a molecular weight of 376.57 g/mol. Its IUPAC name is (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane
PubChem CID164606420
Molecular FormulaC18H36O6Si
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane
SMILESC=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1OCOC
InChIInChI=1S/C18H36O6Si/c1-10-14(21-12-19-8)16-15(22-13-20-9)11-23-25(24-16,17(2,3)4)18(5,6)7/h10,14-16H,1,11-13H2,2-9H3/t14-,15-,16+/m1/s1
InChIKeyZSTJFVUSXXXYNX-OAGGEKHMSA-N
XLogP3.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
CID 134882733
tert-butyl-[1-[[(2S,3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
CID 134882843
1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane
CID 134883051
triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
CID 162517829
(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol
CID 164606419
(4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 164606422
triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
CID 10663386
tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane
CID 24823220
tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane
CID 24823868
[(2R,3S,4R)-3,4-bis(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 50901696
tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
CID 54768207

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane?
The IUPAC name of (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane (CID 164606420) is (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane.
What is the SMILES notation for (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane?
The canonical SMILES for (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane is C=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1OCOC.
What is the InChIKey of (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane?
The InChIKey is ZSTJFVUSXXXYNX-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H36O6Si/c1-10-14(21-12-19-8)16-15(22-13-20-9)11-23-25(24-16,17(2,3)4)18(5,6)7/h10,14-16H,1,11-13H2,2-9H3/t14-,15-,16+/m1/s1.
What are the key properties of (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane?
(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane has a molecular weight of 376.57 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane is sourced from PubChem (CID 164606420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).