(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol

C12H25IO3Si — CID 10595438

IUPAC(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](O)CO[C@H]1CI
InChIInChI=1S/C12H25IO3Si/c1-12(2,3)17(4,5)16-7-9-10(14)8-15-11(9)6-13/h9-11,14H,6-8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyGSHDXYVCWDHPJY-MXWKQRLJSA-N
MW372.32 g/mol
LogP2.82
Rot. Bonds4

About (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol

(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol (PubChem CID 10595438) has the molecular formula C12H25IO3Si and a molecular weight of 372.32 g/mol. Its IUPAC name is (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol
PubChem CID10595438
Molecular FormulaC12H25IO3Si
Molecular Weight372.32 g/mol
Exact Mass372.06
IUPAC Name(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](O)CO[C@H]1CI
InChIInChI=1S/C12H25IO3Si/c1-12(2,3)17(4,5)16-7-9-10(14)8-15-11(9)6-13/h9-11,14H,6-8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyGSHDXYVCWDHPJY-MXWKQRLJSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
CID 10936954
trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667
(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-ol
CID 10767871
tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
(3aR,7R,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 15546792
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11132099
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
CID 11160591
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,53R,55R,56R)-5,10,15,20,25,30,35,40-octakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
CID 134081361
(1R,2R,4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-nitro-7-oxabicyclo[2.2.1]heptan-2-ol
CID 102359701
(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
CID 132936006

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol?
The IUPAC name of (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol (CID 10595438) is (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol.
What is the SMILES notation for (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol?
The canonical SMILES for (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](O)CO[C@H]1CI.
What is the InChIKey of (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol?
The InChIKey is GSHDXYVCWDHPJY-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H25IO3Si/c1-12(2,3)17(4,5)16-7-9-10(14)8-15-11(9)6-13/h9-11,14H,6-8H2,1-5H3/t9-,10-,11+/m1/s1.
What are the key properties of (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol?
(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol has a molecular weight of 372.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol is sourced from PubChem (CID 10595438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).