tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane

C25H44O4Si — CID 134872853

IUPACtert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane
SMILESCO/C=C/[C@]1(C)C=C[C@H](C2(C)OCCO2)[C@H]1CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O4Si/c1-20(13-16-29-30(8,9)23(2,3)4)10-11-21-22(25(6)27-18-19-28-25)12-14-24(21,5)15-17-26-7/h12-15,17,21-22H,10-11,16,18-19H2,1-9H3/b17-15+,20-13+/t21-,22+,24+/m1/s1
InChIKeyCSNZFNYZWIUJOS-IOZZVURDSA-N
MW436.71 g/mol
LogP6.47
Rot. Bonds9

About tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane

tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane (PubChem CID 134872853) has the molecular formula C25H44O4Si and a molecular weight of 436.71 g/mol. Its IUPAC name is tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane
PubChem CID134872853
Molecular FormulaC25H44O4Si
Molecular Weight436.71 g/mol
Exact Mass436.30
IUPAC Nametert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane
SMILESCO/C=C/[C@]1(C)C=C[C@H](C2(C)OCCO2)[C@H]1CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O4Si/c1-20(13-16-29-30(8,9)23(2,3)4)10-11-21-22(25(6)27-18-19-28-25)12-14-24(21,5)15-17-26-7/h12-15,17,21-22H,10-11,16,18-19H2,1-9H3/b17-15+,20-13+/t21-,22+,24+/m1/s1
InChIKeyCSNZFNYZWIUJOS-IOZZVURDSA-N
XLogP6.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(1R,4S,5R)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]acetate
CID 10874099
tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(methoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 101234070
Trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane
CID 134875099
tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-(methoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 134930786
[(1R,4S,5R)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]methanol
CID 15835239
ethyl (E)-4-[(1R,4S,5R)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]-2-methylbut-2-enoate
CID 15835240
([4,4-Dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-YL)ethyl]-1-cyclopenten-1-YL]oxy)(trimethyl)silane
CID 117069629
tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 11454471
tert-butyl-[[(1S,3E,7E,11S,12E,15S,17R)-1,4,8,12,17,20,20-heptamethyl-11-triethylsilyloxy-19,21-dioxatricyclo[13.8.0.016,22]tricosa-3,7,12,16(22)-tetraen-23-yl]oxy]-dimethylsilane
CID 17751914
[(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane
CID 99771618
[(3R)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane
CID 99771619
tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 101234071

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane (CID 134872853) is tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane is CO/C=C/[C@]1(C)C=C[C@H](C2(C)OCCO2)[C@H]1CC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane?
The InChIKey is CSNZFNYZWIUJOS-IOZZVURDSA-N. The full InChI is InChI=1S/C25H44O4Si/c1-20(13-16-29-30(8,9)23(2,3)4)10-11-21-22(25(6)27-18-19-28-25)12-14-24(21,5)15-17-26-7/h12-15,17,21-22H,10-11,16,18-19H2,1-9H3/b17-15+,20-13+/t21-,22+,24+/m1/s1.
What are the key properties of tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane has a molecular weight of 436.71 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane is sourced from PubChem (CID 134872853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).