tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane

C30H60O5Si2 — CID 10907812

IUPACtert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane
SMILESC=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CCOCOC)O1)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60O5Si2/c1-24(20-27-16-14-15-26(34-27)17-18-32-23-31-9)19-25(2)21-28(35-37(12,13)30(6,7)8)22-33-36(10,11)29(3,4)5/h14-15,24,26-28H,2,16-23H2,1,3-13H3/t24-,26-,27-,28-/m0/s1
InChIKeyZVPQMSNDWZWWRH-VNNZRSTGSA-N
MW556.98 g/mol
LogP8.49
Rot. Bonds16

About tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane (PubChem CID 10907812) has the molecular formula C30H60O5Si2 and a molecular weight of 556.98 g/mol. Its IUPAC name is tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane
PubChem CID10907812
Molecular FormulaC30H60O5Si2
Molecular Weight556.98 g/mol
Exact Mass556.40
IUPAC Nametert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane
SMILESC=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CCOCOC)O1)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60O5Si2/c1-24(20-27-16-14-15-26(34-27)17-18-32-23-31-9)19-25(2)21-28(35-37(12,13)30(6,7)8)22-33-36(10,11)29(3,4)5/h14-15,24,26-28H,2,16-23H2,1,3-13H3/t24-,26-,27-,28-/m0/s1
InChIKeyZVPQMSNDWZWWRH-VNNZRSTGSA-N
XLogP8.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.98
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane (CID 10907812) is tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane is C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CCOCOC)O1)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane?
The InChIKey is ZVPQMSNDWZWWRH-VNNZRSTGSA-N. The full InChI is InChI=1S/C30H60O5Si2/c1-24(20-27-16-14-15-26(34-27)17-18-32-23-31-9)19-25(2)21-28(35-37(12,13)30(6,7)8)22-33-36(10,11)29(3,4)5/h14-15,24,26-28H,2,16-23H2,1,3-13H3/t24-,26-,27-,28-/m0/s1.
What are the key properties of tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane has a molecular weight of 556.98 g/mol, XLogP of 8.49, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10907812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).