methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate

C20H34O4Si — CID 59823834

IUPACmethyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate
SMILESCOC(=O)CCCC#CC[C@H]1C(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)24-15-16-13-14-18(21)17(16)11-9-7-8-10-12-19(22)23-4/h16-17H,8,10-15H2,1-6H3/t16?,17-/m1/s1
InChIKeyMFPCMMVVKPEEGW-ZYMOGRSISA-N
MW366.57 g/mol
LogP4.34
Rot. Bonds7

About methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate

methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate (PubChem CID 59823834) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate.

Molecular Properties

Compound Namemethyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate
PubChem CID59823834
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Namemethyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate
SMILESCOC(=O)CCCC#CC[C@H]1C(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)24-15-16-13-14-18(21)17(16)11-9-7-8-10-12-19(22)23-4/h16-17H,8,10-15H2,1-6H3/t16?,17-/m1/s1
InChIKeyMFPCMMVVKPEEGW-ZYMOGRSISA-N
XLogP4.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate?
The IUPAC name of methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate (CID 59823834) is methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate.
What is the SMILES notation for methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate?
The canonical SMILES for methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate is COC(=O)CCCC#CC[C@H]1C(=O)CCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate?
The InChIKey is MFPCMMVVKPEEGW-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)24-15-16-13-14-18(21)17(16)11-9-7-8-10-12-19(22)23-4/h16-17H,8,10-15H2,1-6H3/t16?,17-/m1/s1.
What are the key properties of methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate?
methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate has a molecular weight of 366.57 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate is sourced from PubChem (CID 59823834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).