tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane

C34H68O6Si2 — CID 11125034

IUPACtert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
SMILESC[C@@H](/C=C/[C@H](C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O6Si2/c1-23(27-29(39-33(11,12)37-27)25(3)21-35-41(15,16)31(5,6)7)19-20-24(2)28-30(40-34(13,14)38-28)26(4)22-36-42(17,18)32(8,9)10/h19-20,23-30H,21-22H2,1-18H3/b20-19+/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyIHXZOPFAWPRYNA-AOFRRDKRSA-N
MW629.08 g/mol
LogP9.17
Rot. Bonds12

About tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane

tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane (PubChem CID 11125034) has the molecular formula C34H68O6Si2 and a molecular weight of 629.08 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
PubChem CID11125034
Molecular FormulaC34H68O6Si2
Molecular Weight629.08 g/mol
Exact Mass628.46
IUPAC Nametert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
SMILESC[C@@H](/C=C/[C@H](C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O6Si2/c1-23(27-29(39-33(11,12)37-27)25(3)21-35-41(15,16)31(5,6)7)19-20-24(2)28-30(40-34(13,14)38-28)26(4)22-36-42(17,18)32(8,9)10/h19-20,23-30H,21-22H2,1-18H3/b20-19+/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyIHXZOPFAWPRYNA-AOFRRDKRSA-N
XLogP9.17
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.08
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[(E,2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 44515760
[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 14811208
tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58160460
2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304953
tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58305089
tert-butyl-[(Z,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58453148
tert-butyl-[2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124818
tert-butyl-[2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124859
tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 68373432
2-[(4S)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 89902072
tert-butyl-[(Z,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 157231277
tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 157231278

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane (CID 11125034) is tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane is C[C@@H](/C=C/[C@H](C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
The InChIKey is IHXZOPFAWPRYNA-AOFRRDKRSA-N. The full InChI is InChI=1S/C34H68O6Si2/c1-23(27-29(39-33(11,12)37-27)25(3)21-35-41(15,16)31(5,6)7)19-20-24(2)28-30(40-34(13,14)38-28)26(4)22-36-42(17,18)32(8,9)10/h19-20,23-30H,21-22H2,1-18H3/b20-19+/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane has a molecular weight of 629.08 g/mol, XLogP of 9.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 11125034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).