2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid

C14H28O5Si — CID 22821530

IUPAC2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](CC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(4,5)19-8-10-9(6-13(17)18)11(15)7-12(10)16/h9-12,15-16H,6-8H2,1-5H3,(H,17,18)/t9-,10-,11+,12-/m0/s1
InChIKeyHZTHKPCCLCEMCA-YFKTTZPYSA-N
MW304.46 g/mol
LogP1.84
Rot. Bonds5

About 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid

2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid (PubChem CID 22821530) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid
PubChem CID22821530
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](CC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(4,5)19-8-10-9(6-13(17)18)11(15)7-12(10)16/h9-12,15-16H,6-8H2,1-5H3,(H,17,18)/t9-,10-,11+,12-/m0/s1
InChIKeyHZTHKPCCLCEMCA-YFKTTZPYSA-N
XLogP1.84
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid (CID 22821530) is 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid is CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](CC(=O)O)[C@H](O)C[C@@H]1O.
What is the InChIKey of 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid?
The InChIKey is HZTHKPCCLCEMCA-YFKTTZPYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-14(2,3)20(4,5)19-8-10-9(6-13(17)18)11(15)7-12(10)16/h9-12,15-16H,6-8H2,1-5H3,(H,17,18)/t9-,10-,11+,12-/m0/s1.
What are the key properties of 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid?
2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid has a molecular weight of 304.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxycyclopentyl]acetic acid is sourced from PubChem (CID 22821530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).