(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one

C18H34O6Si — CID 46180492

IUPAC(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one
SMILESC[C@H](CCC1(C[C@@H]2OC(=O)C[C@@H]2O)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O6Si/c1-13(24-25(5,6)17(2,3)4)7-8-18(21-9-10-22-18)12-15-14(19)11-16(20)23-15/h13-15,19H,7-12H2,1-6H3/t13-,14+,15+/m1/s1
InChIKeyWYRAYKCRQMPGKP-ILXRZTDVSA-N
MW374.55 g/mol
LogP2.99
Rot. Bonds7

About (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one

(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one (PubChem CID 46180492) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one
PubChem CID46180492
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one
SMILESC[C@H](CCC1(C[C@@H]2OC(=O)C[C@@H]2O)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O6Si/c1-13(24-25(5,6)17(2,3)4)7-8-18(21-9-10-22-18)12-15-14(19)11-16(20)23-15/h13-15,19H,7-12H2,1-6H3/t13-,14+,15+/m1/s1
InChIKeyWYRAYKCRQMPGKP-ILXRZTDVSA-N
XLogP2.99
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S,7S)-3alpha-hydroxyexogonic acid
CID 71524174
(4S,5S)-4-hydroxy-5-[[2-[(3R)-3-hydroxybutyl]-1,3-dioxolan-2-yl]methyl]oxolan-2-one
CID 46180493
(4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 134934693
(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 134934698
3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-L-gluco-octano-1,4-lactone
CID 139050173
3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-L-gluco-octano-1,4-lactone
CID 139050174
3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-D-gluco-octano-1,4-lactone
CID 139050175
3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-D-gluco-octano-1,4-lactone
CID 139050176
8-t-Butyldimethylsilyloxy-1-(2,2-Dimethyl-1,3-Dioxolan-4-yl)-2-Hydroxyoctan-4-One
CID 10317308
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid
CID 67266110
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexanoic acid
CID 67266113
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(R)-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
CID 10348936

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one?
The IUPAC name of (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one (CID 46180492) is (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one is C[C@H](CCC1(C[C@@H]2OC(=O)C[C@@H]2O)OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one?
The InChIKey is WYRAYKCRQMPGKP-ILXRZTDVSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-13(24-25(5,6)17(2,3)4)7-8-18(21-9-10-22-18)12-15-14(19)11-16(20)23-15/h13-15,19H,7-12H2,1-6H3/t13-,14+,15+/m1/s1.
What are the key properties of (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one?
(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one has a molecular weight of 374.55 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one is sourced from PubChem (CID 46180492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).