(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one

C18H36O5Si — CID 134934800

IUPAC(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one
SMILESCC(C)C(=O)C[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-12(2)13(19)10-14(20)16-15(22-18(6,7)23-16)11-21-24(8,9)17(3,4)5/h12,14-16,20H,10-11H2,1-9H3/t14-,15-,16-/m0/s1
InChIKeyLFENFNRCYSMZRN-JYJNAYRXSA-N
MW360.57 g/mol
LogP3.50
Rot. Bonds7

About (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one

(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one (PubChem CID 134934800) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one.

Molecular Properties

Compound Name(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one
PubChem CID134934800
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one
SMILESCC(C)C(=O)C[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-12(2)13(19)10-14(20)16-15(22-18(6,7)23-16)11-21-24(8,9)17(3,4)5/h12,14-16,20H,10-11H2,1-9H3/t14-,15-,16-/m0/s1
InChIKeyLFENFNRCYSMZRN-JYJNAYRXSA-N
XLogP3.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-4-methylpentan-1-one
CID 21600675
(1S,2S,4S)-1-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1-hydroxy-2,5,5-trimethyl-4-trimethylsilyloxyhexan-3-one
CID 134846360
(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
(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one
CID 134934791
(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4,4-dimethylpentan-3-one
CID 134934881
(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4,4-dimethylpentan-3-one
CID 134934893
(4S,5S,6S)-6-(tert-butyldimethylsilyloxy)-6-((S)-2,2-dimetyhl-1,3-dioxolan-4-yl)-5-hydroxy-4-methylhexan-3-one
CID 139091134
8-t-Butyldimethylsilyloxy-1-(2,2-Dimethyl-1,3-Dioxolan-4-yl)-2-Hydroxyoctan-4-One
CID 10317308
(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
CID 58479496
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
CID 58479497
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid
CID 67266110

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one?
The IUPAC name of (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one (CID 134934800) is (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one.
What is the SMILES notation for (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one?
The canonical SMILES for (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one is CC(C)C(=O)C[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one?
The InChIKey is LFENFNRCYSMZRN-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-12(2)13(19)10-14(20)16-15(22-18(6,7)23-16)11-21-24(8,9)17(3,4)5/h12,14-16,20H,10-11H2,1-9H3/t14-,15-,16-/m0/s1.
What are the key properties of (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one?
(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one has a molecular weight of 360.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one is sourced from PubChem (CID 134934800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).