tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane

C42H74O4Si2 — CID 101096073

IUPACtert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane
SMILESCC(C)=C1CC[C@H]([C@H]2CC/C(=C/CC/C=C3\CC[C@H]([C@H]4CCC(=C(C)C)[C@@H]4O[Si](C)(C)C(C)(C)C)OC3)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H74O4Si2/c1-29(2)33-21-23-35(39(33)45-47(11,12)41(5,6)7)37-25-19-31(27-43-37)17-15-16-18-32-20-26-38(44-28-32)36-24-22-34(30(3)4)40(36)46-48(13,14)42(8,9)10/h17-18,35-40H,15-16,19-28H2,1-14H3/b31-17-,32-18+/t35-,36-,37-,38-,39+,40+/m1/s1
InChIKeyIRIOJZDKIBHTPJ-QODCKTEKSA-N
MW699.22 g/mol
LogP12.25
Rot. Bonds9

About tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane (PubChem CID 101096073) has the molecular formula C42H74O4Si2 and a molecular weight of 699.22 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane
PubChem CID101096073
Molecular FormulaC42H74O4Si2
Molecular Weight699.22 g/mol
Exact Mass698.51
IUPAC Nametert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane
SMILESCC(C)=C1CC[C@H]([C@H]2CC/C(=C/CC/C=C3\CC[C@H]([C@H]4CCC(=C(C)C)[C@@H]4O[Si](C)(C)C(C)(C)C)OC3)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H74O4Si2/c1-29(2)33-21-23-35(39(33)45-47(11,12)41(5,6)7)37-25-19-31(27-43-37)17-15-16-18-32-20-26-38(44-28-32)36-24-22-34(30(3)4)40(36)46-48(13,14)42(8,9)10/h17-18,35-40H,15-16,19-28H2,1-14H3/b31-17-,32-18+/t35-,36-,37-,38-,39+,40+/m1/s1
InChIKeyIRIOJZDKIBHTPJ-QODCKTEKSA-N
XLogP12.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.22
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane (CID 101096073) is tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane is CC(C)=C1CC[C@H]([C@H]2CC/C(=C/CC/C=C3\CC[C@H]([C@H]4CCC(=C(C)C)[C@@H]4O[Si](C)(C)C(C)(C)C)OC3)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane?
The InChIKey is IRIOJZDKIBHTPJ-QODCKTEKSA-N. The full InChI is InChI=1S/C42H74O4Si2/c1-29(2)33-21-23-35(39(33)45-47(11,12)41(5,6)7)37-25-19-31(27-43-37)17-15-16-18-32-20-26-38(44-28-32)36-24-22-34(30(3)4)40(36)46-48(13,14)42(8,9)10/h17-18,35-40H,15-16,19-28H2,1-14H3/b31-17-,32-18+/t35-,36-,37-,38-,39+,40+/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane has a molecular weight of 699.22 g/mol, XLogP of 12.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 101096073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).