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

C15H27NO4Si — CID 10591307

IUPAC[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)N[C@@H]1[C@@H](OC(C)=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27NO4Si/c1-10(17)16-14-12(19-11(2)18)8-9-13(14)20-21(6,7)15(3,4)5/h8-9,12-14H,1-7H3,(H,16,17)/t12-,13-,14+/m0/s1
InChIKeyOJSQUNBFGCYVPD-MELADBBJSA-N
MW313.47 g/mol
LogP2.38
Rot. Bonds4

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

[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (PubChem CID 10591307) has the molecular formula C15H27NO4Si and a molecular weight of 313.47 g/mol. Its IUPAC name is [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
PubChem CID10591307
Molecular FormulaC15H27NO4Si
Molecular Weight313.47 g/mol
Exact Mass313.17
IUPAC Name[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)N[C@@H]1[C@@H](OC(C)=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27NO4Si/c1-10(17)16-14-12(19-11(2)18)8-9-13(14)20-21(6,7)15(3,4)5/h8-9,12-14H,1-7H3,(H,16,17)/t12-,13-,14+/m0/s1
InChIKeyOJSQUNBFGCYVPD-MELADBBJSA-N
XLogP2.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl (E,2S)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10519447
[(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
4-[(E,2S,3R)-2-acetamido-1-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]oxy-4-oxobutanoic acid
CID 88883436
N-[(E,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxyoctadec-4-en-2-yl]acetamide
CID 171051958
[(1R,4S)-4-acetyloxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10633842
[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate
CID 10705258
[(1S,4R,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 10829027
methyl (Z,2R)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 11012516
[(1S,4R,5R)-5-[acetyl(prop-2-enyl)amino]-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 11268224
[(2R,3S)-1-acetyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
CID 11302655
N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethoxy)cyclopent-3-en-1-yl]acetamide
CID 11467270

Frequently Asked Questions

What is the IUPAC name of [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate (CID 10591307) is [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is CC(=O)N[C@@H]1[C@@H](OC(C)=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
The InChIKey is OJSQUNBFGCYVPD-MELADBBJSA-N. The full InChI is InChI=1S/C15H27NO4Si/c1-10(17)16-14-12(19-11(2)18)8-9-13(14)20-21(6,7)15(3,4)5/h8-9,12-14H,1-7H3,(H,16,17)/t12-,13-,14+/m0/s1.
What are the key properties of [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate?
[(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate has a molecular weight of 313.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,5R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10591307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).