[(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
[(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl] methanesulfonate
CID 10782412
[(1S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] methanesulfonate
CID 171659990
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
(4-butylcyclohexyl) methanesulfonate
CID 118246172
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl] methanesulfonate
CID 87670836
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid
CID 169092266
[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 11459641
N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide
CID 69045747
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202

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).