cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate

C11H22O3Si — CID 58128152

IUPACcis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C11H22O3Si/c1-15(2,3)7-6-14-11(13)9-4-5-10(12)8-9/h9-10,12H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyFCCRAKVBFHFDOB-VHSXEESVSA-N
MW230.38 g/mol
LogP2.03
Rot. Bonds4

About cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate

cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate (PubChem CID 58128152) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
PubChem CID58128152
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namecis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C11H22O3Si/c1-15(2,3)7-6-14-11(13)9-4-5-10(12)8-9/h9-10,12H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyFCCRAKVBFHFDOB-VHSXEESVSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
The IUPAC name of cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate (CID 58128152) is cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate is C[Si](C)(C)CCOC(=O)[C@H]1CC[C@@H](O)C1.
What is the InChIKey of cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
The InChIKey is FCCRAKVBFHFDOB-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-15(2,3)7-6-14-11(13)9-4-5-10(12)8-9/h9-10,12H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate has a molecular weight of 230.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 58128152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).