[(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate

C15H28O4Si — CID 67985347

IUPAC[(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)[C@H]1CO
InChIInChI=1S/C15H28O4Si/c1-10-12(9-16)14(18-11(2)17)8-13(10)19-20(6,7)15(3,4)5/h12-14,16H,1,8-9H2,2-7H3/t12-,13+,14-/m0/s1
InChIKeyPLLNSPHODRWWNO-MJBXVCDLSA-N
MW300.47 g/mol
LogP2.88
Rot. Bonds4

About [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate

[(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate (PubChem CID 67985347) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate
PubChem CID67985347
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)[C@H]1CO
InChIInChI=1S/C15H28O4Si/c1-10-12(9-16)14(18-11(2)17)8-13(10)19-20(6,7)15(3,4)5/h12-14,16H,1,8-9H2,2-7H3/t12-,13+,14-/m0/s1
InChIKeyPLLNSPHODRWWNO-MJBXVCDLSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate?
The IUPAC name of [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate (CID 67985347) is [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate.
What is the SMILES notation for [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate?
The canonical SMILES for [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate is C=C1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)[C@H]1CO.
What is the InChIKey of [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate?
The InChIKey is PLLNSPHODRWWNO-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10-12(9-16)14(18-11(2)17)8-13(10)19-20(6,7)15(3,4)5/h12-14,16H,1,8-9H2,2-7H3/t12-,13+,14-/m0/s1.
What are the key properties of [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate?
[(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate has a molecular weight of 300.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentyl] acetate is sourced from PubChem (CID 67985347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).