(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol

C11H22O3Si — CID 101098885

IUPAC(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H](O)CO1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10/h6-7,9-10,12H,8H2,1-5H3/t9-,10+/m1/s1
InChIKeyXXLQTOLVNZXFAX-ZJUUUORDSA-N
MW230.38 g/mol
LogP2.28
Rot. Bonds2

About (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol

(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 101098885) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID101098885
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H](O)CO1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10/h6-7,9-10,12H,8H2,1-5H3/t9-,10+/m1/s1
InChIKeyXXLQTOLVNZXFAX-ZJUUUORDSA-N
XLogP2.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 14309521
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol
CID 10947384
(1R,2S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 101334341

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol (CID 101098885) is (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H](O)CO1.
What is the InChIKey of (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is XXLQTOLVNZXFAX-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10/h6-7,9-10,12H,8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol?
(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 230.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 101098885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).