[(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol

C16H32O6Si — CID 11624432

IUPAC[(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H](C2(CO)OCCO2)O[C@H]1CO
InChIInChI=1S/C16H32O6Si/c1-15(2,3)23(4,5)21-10-12-8-14(22-13(12)9-17)16(11-18)19-6-7-20-16/h12-14,17-18H,6-11H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyLSXVNIPLCNVDAP-RDBSUJKOSA-N
MW348.51 g/mol
LogP1.51
Rot. Bonds6

About [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol

[(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol (PubChem CID 11624432) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol
PubChem CID11624432
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Name[(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H](C2(CO)OCCO2)O[C@H]1CO
InChIInChI=1S/C16H32O6Si/c1-15(2,3)23(4,5)21-10-12-8-14(22-13(12)9-17)16(11-18)19-6-7-20-16/h12-14,17-18H,6-11H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyLSXVNIPLCNVDAP-RDBSUJKOSA-N
XLogP1.51
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione
CID 91115264
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
CID 59063136
(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
CID 132936006
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
(3aR,4S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58182336
tert-butyl-[[(1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methoxy]-dimethylsilane
CID 102183768
(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol
CID 10682540

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol (CID 11624432) is [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol is CC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H](C2(CO)OCCO2)O[C@H]1CO.
What is the InChIKey of [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol?
The InChIKey is LSXVNIPLCNVDAP-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-15(2,3)23(4,5)21-10-12-8-14(22-13(12)9-17)16(11-18)19-6-7-20-16/h12-14,17-18H,6-11H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol?
[(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol has a molecular weight of 348.51 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 11624432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).