(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one

C22H46O5Si2 — CID 134872932

IUPAC(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCO)C[C@H](C[C@@H]1CCC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O5Si2/c1-21(2,3)28(7,8)26-18(13-14-23)16-19(15-17-11-12-20(24)25-17)27-29(9,10)22(4,5)6/h17-19,23H,11-16H2,1-10H3/t17-,18+,19-/m0/s1
InChIKeyGTNMKKMZHBJXMB-OTWHNJEPSA-N
MW446.78 g/mol
LogP5.64
Rot. Bonds10

About (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one

(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one (PubChem CID 134872932) has the molecular formula C22H46O5Si2 and a molecular weight of 446.78 g/mol. Its IUPAC name is (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one
PubChem CID134872932
Molecular FormulaC22H46O5Si2
Molecular Weight446.78 g/mol
Exact Mass446.29
IUPAC Name(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCO)C[C@H](C[C@@H]1CCC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O5Si2/c1-21(2,3)28(7,8)26-18(13-14-23)16-19(15-17-11-12-20(24)25-17)27-29(9,10)22(4,5)6/h17-19,23H,11-16H2,1-10H3/t17-,18+,19-/m0/s1
InChIKeyGTNMKKMZHBJXMB-OTWHNJEPSA-N
XLogP5.64
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.78
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one with MolForge

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Related Compounds

(5S, 6R) Methyl 5,6-di(tert-butyldimethylsiloxy)-7-hydroxyheptanoate
CID 86598272
(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
CID 11370458
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
trans-(10S,12S)-10-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-12-methyl-oxacyclododecan-2-one
CID 102168650
ethyl 8-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-2-hydroxy-1-(1-methylcyclopropyl)oxyethyl]oxolan-2-yl]octanoate
CID 138978688
methyl (3R,5R)-5-(t-butyldimethylsiloxy)-3-hydroxydocosanoate
CID 54058510
methyl (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexadecanoate
CID 57164701
9-[Tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid
CID 70006184
(12R)-12-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-12-hydroxydodecanoic acid
CID 72198045
Methyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxyheptanoate
CID 87974430
dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate
CID 90930643
dimethyl (3S,7S)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate
CID 91320970

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one (CID 134872932) is (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H](CCO)C[C@H](C[C@@H]1CCC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one?
The InChIKey is GTNMKKMZHBJXMB-OTWHNJEPSA-N. The full InChI is InChI=1S/C22H46O5Si2/c1-21(2,3)28(7,8)26-18(13-14-23)16-19(15-17-11-12-20(24)25-17)27-29(9,10)22(4,5)6/h17-19,23H,11-16H2,1-10H3/t17-,18+,19-/m0/s1.
What are the key properties of (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one?
(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one has a molecular weight of 446.78 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one is sourced from PubChem (CID 134872932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).