[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol

C19H40O4Si2 — CID 154707119

IUPAC[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(CO)=C1CO
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16-11-17(15(13-21)14(16)12-20)23-25(9,10)19(4,5)6/h16-17,20-21H,11-13H2,1-10H3/t16-,17+
InChIKeyNCNQGINEHSPBJI-CALCHBBNSA-N
MW388.70 g/mol
LogP4.45
Rot. Bonds6

About [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol

[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol (PubChem CID 154707119) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol
PubChem CID154707119
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Name[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(CO)=C1CO
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16-11-17(15(13-21)14(16)12-20)23-25(9,10)19(4,5)6/h16-17,20-21H,11-13H2,1-10H3/t16-,17+
InChIKeyNCNQGINEHSPBJI-CALCHBBNSA-N
XLogP4.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 54.45
H-Bond Donors ≤ 52
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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Related Compounds

5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
CID 135040437
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol
CID 10518216
[5-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopenten-1-yl]methanol
CID 11118241
4-[Tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216823
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216824
[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol
CID 14728050
(8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 57930814
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 70532058
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 70536701
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-ol
CID 10243472
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclohex-2-en-1-ol
CID 10625760

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol?
The IUPAC name of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol (CID 154707119) is [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol.
What is the SMILES notation for [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol?
The canonical SMILES for [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(CO)=C1CO.
What is the InChIKey of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol?
The InChIKey is NCNQGINEHSPBJI-CALCHBBNSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16-11-17(15(13-21)14(16)12-20)23-25(9,10)19(4,5)6/h16-17,20-21H,11-13H2,1-10H3/t16-,17+.
What are the key properties of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol?
[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol has a molecular weight of 388.70 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol is sourced from PubChem (CID 154707119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).