[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate

C14H30O4SSi — CID 89190254

IUPAC[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1CC[C@H](OS(C)(=O)=O)C1
InChIInChI=1S/C14H30O4SSi/c1-14(2,3)20(5,6)17-10-9-12-7-8-13(11-12)18-19(4,15)16/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyDXIDSPQSXSSSDI-OLZOCXBDSA-N
MW322.54 g/mol
LogP3.54
Rot. Bonds6

About [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate

[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate (PubChem CID 89190254) has the molecular formula C14H30O4SSi and a molecular weight of 322.54 g/mol. Its IUPAC name is [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate.

Molecular Properties

Compound Name[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate
PubChem CID89190254
Molecular FormulaC14H30O4SSi
Molecular Weight322.54 g/mol
Exact Mass322.16
IUPAC Name[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1CC[C@H](OS(C)(=O)=O)C1
InChIInChI=1S/C14H30O4SSi/c1-14(2,3)20(5,6)17-10-9-12-7-8-13(11-12)18-19(4,15)16/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1
InChIKeyDXIDSPQSXSSSDI-OLZOCXBDSA-N
XLogP3.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate?
The IUPAC name of [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate (CID 89190254) is [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate.
What is the SMILES notation for [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate?
The canonical SMILES for [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate is CC(C)(C)[Si](C)(C)OCC[C@H]1CC[C@H](OS(C)(=O)=O)C1.
What is the InChIKey of [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate?
The InChIKey is DXIDSPQSXSSSDI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H30O4SSi/c1-14(2,3)20(5,6)17-10-9-12-7-8-13(11-12)18-19(4,15)16/h12-13H,7-11H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate?
[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate has a molecular weight of 322.54 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate is sourced from PubChem (CID 89190254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).