2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide

C16H31NO3Si — CID 171365798

IUPAC2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1C=C[C@@H](O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO3Si/c1-7-17-15(19)10-12-8-9-14(18)13(12)11-20-21(5,6)16(2,3)4/h8-9,12-14,18H,7,10-11H2,1-6H3,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyQTGOJLKRXSSWPD-HZSPNIEDSA-N
MW313.51 g/mol
LogP2.70
Rot. Bonds6

About 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide

2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide (PubChem CID 171365798) has the molecular formula C16H31NO3Si and a molecular weight of 313.51 g/mol. Its IUPAC name is 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide
PubChem CID171365798
Molecular FormulaC16H31NO3Si
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Name2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1C=C[C@@H](O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO3Si/c1-7-17-15(19)10-12-8-9-14(18)13(12)11-20-21(5,6)16(2,3)4/h8-9,12-14,18H,7,10-11H2,1-6H3,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyQTGOJLKRXSSWPD-HZSPNIEDSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide (CID 171365798) is 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide is CCNC(=O)C[C@H]1C=C[C@@H](O)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide?
The InChIKey is QTGOJLKRXSSWPD-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H31NO3Si/c1-7-17-15(19)10-12-8-9-14(18)13(12)11-20-21(5,6)16(2,3)4/h8-9,12-14,18H,7,10-11H2,1-6H3,(H,17,19)/t12-,13+,14-/m1/s1.
What are the key properties of 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide?
2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide has a molecular weight of 313.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide is sourced from PubChem (CID 171365798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).