[(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane

C33H72O5Si4 — CID 91868134

IUPAC[(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H72O5Si4/c1-22-23-25-27(36-40(16,17)31(5,6)7)29(38-42(20,21)33(11,12)13)28(37-41(18,19)32(8,9)10)26(35-25)24-34-39(14,15)30(2,3)4/h22,25-29H,1,23-24H2,2-21H3/t25-,26?,27?,28-,29-/m0/s1
InChIKeyMSYULMAWVFSAEU-ADCCZMLMSA-N
MW661.28 g/mol
LogP10.52
Rot. Bonds11

About [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane

[(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 91868134) has the molecular formula C33H72O5Si4 and a molecular weight of 661.28 g/mol. Its IUPAC name is [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID91868134
Molecular FormulaC33H72O5Si4
Molecular Weight661.28 g/mol
Exact Mass660.45
IUPAC Name[(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H72O5Si4/c1-22-23-25-27(36-40(16,17)31(5,6)7)29(38-42(20,21)33(11,12)13)28(37-41(18,19)32(8,9)10)26(35-25)24-34-39(14,15)30(2,3)4/h22,25-29H,1,23-24H2,2-21H3/t25-,26?,27?,28-,29-/m0/s1
InChIKeyMSYULMAWVFSAEU-ADCCZMLMSA-N
XLogP10.52
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.28
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane
CID 101185877
2-[6-Allyl-3-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl]ethoxy]-tert-butyldimethylsilane
CID 46894694
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
CID 134842406
triethyl-[(3R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane
CID 135032975
(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol
CID 162416828
tert-butyl-dimethyl-[(2R,3S)-2-pent-4-enyloxan-3-yl]oxysilane
CID 10636839
(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol
CID 11016578
(2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol
CID 22868382
Tert-butyl-[6-(methoxymethyl)-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
CID 57928140
[(E,1S)-1-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-iodoprop-2-enoxy]-tert-butyl-dimethylsilane
CID 58077688
[(E,3S)-3-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
CID 58077755

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane (CID 91868134) is [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MSYULMAWVFSAEU-ADCCZMLMSA-N. The full InChI is InChI=1S/C33H72O5Si4/c1-22-23-25-27(36-40(16,17)31(5,6)7)29(38-42(20,21)33(11,12)13)28(37-41(18,19)32(8,9)10)26(35-25)24-34-39(14,15)30(2,3)4/h22,25-29H,1,23-24H2,2-21H3/t25-,26?,27?,28-,29-/m0/s1.
What are the key properties of [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 661.28 g/mol, XLogP of 10.52, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91868134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).