[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane

C33H70O5Si4 — CID 10952445

IUPAC[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C/C=C1\O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H70O5Si4/c1-22-23-25-28(37-41(18,19)32(8,9)10)29(38-42(20,21)33(11,12)13)27(35-25)26(36-40(16,17)31(5,6)7)24-34-39(14,15)30(2,3)4/h22-23,26-29H,1,24H2,2-21H3/b25-23-/t26-,27-,28+,29+/m1/s1
InChIKeyMNTTWQASSGBDPF-YEVCPOGOSA-N
MW659.26 g/mol
LogP10.65
Rot. Bonds11

About [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10952445) has the molecular formula C33H70O5Si4 and a molecular weight of 659.26 g/mol. Its IUPAC name is [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10952445
Molecular FormulaC33H70O5Si4
Molecular Weight659.26 g/mol
Exact Mass658.43
IUPAC Name[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C/C=C1\O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H70O5Si4/c1-22-23-25-28(37-41(18,19)32(8,9)10)29(38-42(20,21)33(11,12)13)27(35-25)26(36-40(16,17)31(5,6)7)24-34-39(14,15)30(2,3)4/h22-23,26-29H,1,24H2,2-21H3/b25-23-/t26-,27-,28+,29+/m1/s1
InChIKeyMNTTWQASSGBDPF-YEVCPOGOSA-N
XLogP10.65
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.26
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5Z)-6-methoxy-2,7-dimethylocta-1,5,7-trien-4-yl]oxyhept-6-enoxy]-dimethylsilane
CID 134939172
(2Z)-2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetaldehyde
CID 11158110
triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane
CID 11178541
4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane
CID 11308824
[(2R,3R,4S,5R,6Z)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enylideneoxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 11422427
[(2R,3S,4S,5R,6Z)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enylideneoxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101106239
[(2S,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 101106240
tert-butyl-[(2R,3S,4R,5Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-prop-2-enylideneoxolan-3-yl]oxy-dimethylsilane
CID 101106242
(3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol
CID 101106250

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 10952445) is [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane is C=C/C=C1\O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MNTTWQASSGBDPF-YEVCPOGOSA-N. The full InChI is InChI=1S/C33H70O5Si4/c1-22-23-25-28(37-41(18,19)32(8,9)10)29(38-42(20,21)33(11,12)13)27(35-25)26(36-40(16,17)31(5,6)7)24-34-39(14,15)30(2,3)4/h22-23,26-29H,1,24H2,2-21H3/b25-23-/t26-,27-,28+,29+/m1/s1.
What are the key properties of [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 659.26 g/mol, XLogP of 10.65, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10952445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).