(1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol

C22H46O3Si — CID 132524697

IUPAC(1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@H]1CC[C@](C)(CCO)[C@]1(O)CCC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si/c1-17(2)18-11-12-21(8,15-16-23)22(18,24)14-13-20(6,7)25-26(9,10)19(3,4)5/h17-18,23-24H,11-16H2,1-10H3/t18-,21-,22+/m1/s1
InChIKeyAEXJOSXZGDVKHP-QIJUGHKUSA-N
MW386.69 g/mol
LogP5.75
Rot. Bonds8

About (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol

(1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol (PubChem CID 132524697) has the molecular formula C22H46O3Si and a molecular weight of 386.69 g/mol. Its IUPAC name is (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
PubChem CID132524697
Molecular FormulaC22H46O3Si
Molecular Weight386.69 g/mol
Exact Mass386.32
IUPAC Name(1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@H]1CC[C@](C)(CCO)[C@]1(O)CCC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si/c1-17(2)18-11-12-21(8,15-16-23)22(18,24)14-13-20(6,7)25-26(9,10)19(3,4)5/h17-18,23-24H,11-16H2,1-10H3/t18-,21-,22+/m1/s1
InChIKeyAEXJOSXZGDVKHP-QIJUGHKUSA-N
XLogP5.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 55.75
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

(1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol
CID 15851118
(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
CID 11119640
(2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol
CID 11680810
trans-(1S,5R)-5-(2-hydroxyethyl)-1,2,2-trimethylcyclopentan-1-ol
CID 21635552
(4S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4,8-trimethylnonan-1-ol
CID 57788457
(5S)-9-[tert-butyl(dimethyl)silyl]oxy-3,3,5,9-tetramethyldecan-1-ol
CID 57788463
(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol
CID 58184441
(6R)-6-[(1R,2R,3R)-3-(hydroxymethyl)-2-methyl-2-propylcyclopentyl]-2-methylheptan-2-ol
CID 59054981
[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 59264421
(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2,2,3,3,5-pentamethylcyclopentan-1-ol
CID 59483107
(1S,2R,4R)-3-[8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctyl]-2-(3-hydroxypropyl)-4-methylcyclopentan-1-ol
CID 68010301
3-[(1S,2S,3R,5S)-2-[3,8-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-3,5-dimethylcyclopentyl]propan-1-ol
CID 68010317

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
The IUPAC name of (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol (CID 132524697) is (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol is CC(C)[C@H]1CC[C@](C)(CCO)[C@]1(O)CCC(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
The InChIKey is AEXJOSXZGDVKHP-QIJUGHKUSA-N. The full InChI is InChI=1S/C22H46O3Si/c1-17(2)18-11-12-21(8,15-16-23)22(18,24)14-13-20(6,7)25-26(9,10)19(3,4)5/h17-18,23-24H,11-16H2,1-10H3/t18-,21-,22+/m1/s1.
What are the key properties of (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
(1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol has a molecular weight of 386.69 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 132524697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).