[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane

C46H90O6Si2 — CID 11239777

IUPAC[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane
SMILESCC/C=C/C(C)=C/[C@H](C)C[C@H](OCOC)[C@H](/C=C/CC[C@@H](C)C1(CC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C46H90O6Si2/c1-19-20-23-40(14)30-42(16)31-45(48-33-47-18)44(52-54(37(8)9,38(10)11)39(12)13)25-22-21-24-43(17)46(49-28-29-50-46)27-26-41(15)32-51-53(34(2)3,35(4)5)36(6)7/h20,22-23,25,30,34-39,41-45H,19,21,24,26-29,31-33H2,1-18H3/b23-20+,25-22+,40-30+/t41-,42-,43+,44-,45-/m0/s1
InChIKeyGSJBWEFHXZNEFH-RBWBPCAYSA-N
MW795.39 g/mol
LogP13.80
Rot. Bonds28

About [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane

[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane (PubChem CID 11239777) has the molecular formula C46H90O6Si2 and a molecular weight of 795.39 g/mol. Its IUPAC name is [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane
PubChem CID11239777
Molecular FormulaC46H90O6Si2
Molecular Weight795.39 g/mol
Exact Mass794.63
IUPAC Name[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane
SMILESCC/C=C/C(C)=C/[C@H](C)C[C@H](OCOC)[C@H](/C=C/CC[C@@H](C)C1(CC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C46H90O6Si2/c1-19-20-23-40(14)30-42(16)31-45(48-33-47-18)44(52-54(37(8)9,38(10)11)39(12)13)25-22-21-24-43(17)46(49-28-29-50-46)27-26-41(15)32-51-53(34(2)3,35(4)5)36(6)7/h20,22-23,25,30,34-39,41-45H,19,21,24,26-29,31-33H2,1-18H3/b23-20+,25-22+,40-30+/t41-,42-,43+,44-,45-/m0/s1
InChIKeyGSJBWEFHXZNEFH-RBWBPCAYSA-N
XLogP13.80
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.39
LogP ≤ 513.80
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane (CID 11239777) is [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane is CC/C=C/C(C)=C/[C@H](C)C[C@H](OCOC)[C@H](/C=C/CC[C@@H](C)C1(CC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is GSJBWEFHXZNEFH-RBWBPCAYSA-N. The full InChI is InChI=1S/C46H90O6Si2/c1-19-20-23-40(14)30-42(16)31-45(48-33-47-18)44(52-54(37(8)9,38(10)11)39(12)13)25-22-21-24-43(17)46(49-28-29-50-46)27-26-41(15)32-51-53(34(2)3,35(4)5)36(6)7/h20,22-23,25,30,34-39,41-45H,19,21,24,26-29,31-33H2,1-18H3/b23-20+,25-22+,40-30+/t41-,42-,43+,44-,45-/m0/s1.
What are the key properties of [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane?
[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 795.39 g/mol, XLogP of 13.80, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11239777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).