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

C18H34O6Si — CID 56930227

IUPAC(4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)O[C@@H]([C@@H]2OC(C)(C)OCC2=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)21-11-13-15(24-18(6,7)22-13)14-12(19)10-20-17(4,5)23-14/h13-15H,10-11H2,1-9H3/t13-,14+,15+/m0/s1
InChIKeyUPXNZENLXOSJCG-RRFJBIMHSA-N
MW374.55 g/mol
LogP3.25
Rot. Bonds4

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

(4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one (PubChem CID 56930227) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name(4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one
PubChem CID56930227
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name(4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)O[C@@H]([C@@H]2OC(C)(C)OCC2=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)21-11-13-15(24-18(6,7)22-13)14-12(19)10-20-17(4,5)23-14/h13-15H,10-11H2,1-9H3/t13-,14+,15+/m0/s1
InChIKeyUPXNZENLXOSJCG-RRFJBIMHSA-N
XLogP3.25
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-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

D(+)-Turanose, TMS
CID 22296522
D-Leucrose, TMS
CID 91750478
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 46838235
methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 10991203
(3S,4R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 102575499
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
Maltulose TMS, #1
CID 91747577
Turanose 8tms-2
CID 91750418
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-6)[TMS(-3)][TMS(-4)][TMS(-5)]keto-Hex2ulo-O-TMS
CID 612384
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-3)[TMS(-4)][TMS(-5)][TMS(-6)]keto-Hex2ulo-O-TMS
CID 632327
ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate
CID 10716123

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one?
The IUPAC name of (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one (CID 56930227) is (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one.
What is the SMILES notation for (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one?
The canonical SMILES for (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one is CC1(C)O[C@@H]([C@@H]2OC(C)(C)OCC2=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one?
The InChIKey is UPXNZENLXOSJCG-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)21-11-13-15(24-18(6,7)22-13)14-12(19)10-20-17(4,5)23-14/h13-15H,10-11H2,1-9H3/t13-,14+,15+/m0/s1.
What are the key properties of (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one?
(4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one has a molecular weight of 374.55 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-one is sourced from PubChem (CID 56930227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).