2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol

C16H34O3Si — CID 11012111

IUPAC2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol
SMILESCC1(C)C[C@@H](CO)[C@@H](CCO)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-15(2,3)20(6,7)19-14-13(8-9-17)12(11-18)10-16(14,4)5/h12-14,17-18H,8-11H2,1-7H3/t12-,13+,14+/m0/s1
InChIKeyVNLLGJKJAJAAAX-BFHYXJOUSA-N
MW302.53 g/mol
LogP3.41
Rot. Bonds5

About 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol

2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol (PubChem CID 11012111) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol
PubChem CID11012111
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol
SMILESCC1(C)C[C@@H](CO)[C@@H](CCO)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-15(2,3)20(6,7)19-14-13(8-9-17)12(11-18)10-16(14,4)5/h12-14,17-18H,8-11H2,1-7H3/t12-,13+,14+/m0/s1
InChIKeyVNLLGJKJAJAAAX-BFHYXJOUSA-N
XLogP3.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,3aR,4S,7aS)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-ol
CID 70794759
(1S,3aS,3bR,6aR,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 11595524
(1S,3aS,4R,6aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 134865091
(1S,3aS,3bS,4R,6aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 134889098
(1R,3aR,4S,7S,8S,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-(2-hydroxyethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 162406361
(1aS,2R,2aS,5S,5aS,7aR)-5-[tert-butyl(dimethyl)silyl]oxy-2a-(hydroxymethyl)-1,1,5a-trimethyl-1a,2,3,4,5,6,7,7a-octahydrocyclopropa[f]azulen-2-ol
CID 168304046
trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol
CID 10497387
(1aS,4R,4aR,6S,7S,7aS,7bR)-6-[tert-butyl(dimethyl)silyl]oxy-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 11024605
(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
CID 11119640
(1S,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-ol
CID 15168731
(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol
CID 58184441
[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 59264421

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol?
The IUPAC name of 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol (CID 11012111) is 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol.
What is the SMILES notation for 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol?
The canonical SMILES for 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol is CC1(C)C[C@@H](CO)[C@@H](CCO)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol?
The InChIKey is VNLLGJKJAJAAAX-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-15(2,3)20(6,7)19-14-13(8-9-17)12(11-18)10-16(14,4)5/h12-14,17-18H,8-11H2,1-7H3/t12-,13+,14+/m0/s1.
What are the key properties of 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol?
2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol has a molecular weight of 302.53 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3-dimethylcyclopentyl]ethanol is sourced from PubChem (CID 11012111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).