N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide

C26H53NO3SiSn — CID 11467270

IUPACN-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C14H26NO3Si.3C4H9.Sn/c1-10(16)15-13-11(17-5)8-9-12(13)18-19(6,7)14(2,3)4;3*1-3-4-2;/h8-9,11-13H,5H2,1-4,6-7H3,(H,15,16);3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m0..../s1
InChIKeyHMUPJXRFZNHIFG-QXHTVVIDSA-N
MW574.51 g/mol
LogP7.22
Rot. Bonds15

About N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide

N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide (PubChem CID 11467270) has the molecular formula C26H53NO3SiSn and a molecular weight of 574.51 g/mol. Its IUPAC name is N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide
PubChem CID11467270
Molecular FormulaC26H53NO3SiSn
Molecular Weight574.51 g/mol
Exact Mass575.28
IUPAC NameN-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C14H26NO3Si.3C4H9.Sn/c1-10(16)15-13-11(17-5)8-9-12(13)18-19(6,7)14(2,3)4;3*1-3-4-2;/h8-9,11-13H,5H2,1-4,6-7H3,(H,15,16);3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m0..../s1
InChIKeyHMUPJXRFZNHIFG-QXHTVVIDSA-N
XLogP7.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.51
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 10591307
[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate
CID 10665089
[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate
CID 10807339
N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide
CID 10826011
N-[(1R,2R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide
CID 10849754
N-[(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-5-en-3-yl]acetamide
CID 171051955
N-[(E,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxyoctadec-4-en-2-yl]acetamide
CID 171051958
N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide
CID 10773872
[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 10829027
N-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide
CID 11219479
ethyl (E,4R,5R)-5-acetamido-6-[tert-butyl(dimethyl)silyl]oxy-4-pentan-3-yloxyhex-2-enoate
CID 57522088

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide (CID 11467270) is N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide is CCCC[Sn](CCCC)(CCCC)CO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide?
The InChIKey is HMUPJXRFZNHIFG-QXHTVVIDSA-N. The full InChI is InChI=1S/C14H26NO3Si.3C4H9.Sn/c1-10(16)15-13-11(17-5)8-9-12(13)18-19(6,7)14(2,3)4;3*1-3-4-2;/h8-9,11-13H,5H2,1-4,6-7H3,(H,15,16);3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m0..../s1.
What are the key properties of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide?
N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide has a molecular weight of 574.51 g/mol, XLogP of 7.22, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide is sourced from PubChem (CID 11467270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).