[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate

C16H29NO5Si — CID 10807339

IUPAC[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H29NO5Si/c1-8-20-15(19)21-12-9-10-13(14(12)17-11(2)18)22-23(6,7)16(3,4)5/h9-10,12-14H,8H2,1-7H3,(H,17,18)/t12-,13+,14+/m0/s1
InChIKeyGMGUUVCWSZGXAH-BFHYXJOUSA-N
MW343.50 g/mol
LogP2.99
Rot. Bonds5

About [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate

[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate (PubChem CID 10807339) has the molecular formula C16H29NO5Si and a molecular weight of 343.50 g/mol. Its IUPAC name is [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate.

Molecular Properties

Compound Name[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate
PubChem CID10807339
Molecular FormulaC16H29NO5Si
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H29NO5Si/c1-8-20-15(19)21-12-9-10-13(14(12)17-11(2)18)22-23(6,7)16(3,4)5/h9-10,12-14H,8H2,1-7H3,(H,17,18)/t12-,13+,14+/m0/s1
InChIKeyGMGUUVCWSZGXAH-BFHYXJOUSA-N
XLogP2.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-[(E,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxyoctadec-4-en-2-yl]acetamide
CID 171051958
[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 10829027
[(1S,4R,5R)-5-[acetyl(prop-2-enyl)amino]-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 11268224
N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide
CID 11467270
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 [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate?
The IUPAC name of [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate (CID 10807339) is [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate.
What is the SMILES notation for [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate?
The canonical SMILES for [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate is CCOC(=O)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate?
The InChIKey is GMGUUVCWSZGXAH-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H29NO5Si/c1-8-20-15(19)21-12-9-10-13(14(12)17-11(2)18)22-23(6,7)16(3,4)5/h9-10,12-14H,8H2,1-7H3,(H,17,18)/t12-,13+,14+/m0/s1.
What are the key properties of [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate?
[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate has a molecular weight of 343.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] ethyl carbonate is sourced from PubChem (CID 10807339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).