(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol

C14H31NO3Si — CID 16657977

IUPAC(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol
SMILESC[C@@H]1O[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N(C)C
InChIInChI=1S/C14H31NO3Si/c1-10-13(15(5)6)11(9-12(16)17-10)18-19(7,8)14(2,3)4/h10-13,16H,9H2,1-8H3/t10-,11-,12+,13+/m0/s1
InChIKeyONQKFMRFTCRJQY-WUHRBBMRSA-N
MW289.49 g/mol
LogP2.43
Rot. Bonds3

About (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol

(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol (PubChem CID 16657977) has the molecular formula C14H31NO3Si and a molecular weight of 289.49 g/mol. Its IUPAC name is (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol.

Molecular Properties

Compound Name(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol
PubChem CID16657977
Molecular FormulaC14H31NO3Si
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol
SMILESC[C@@H]1O[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N(C)C
InChIInChI=1S/C14H31NO3Si/c1-10-13(15(5)6)11(9-12(16)17-10)18-19(7,8)14(2,3)4/h10-13,16H,9H2,1-8H3/t10-,11-,12+,13+/m0/s1
InChIKeyONQKFMRFTCRJQY-WUHRBBMRSA-N
XLogP2.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(2R,3R)-2-[(2S,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-1,3-diol
CID 102082611
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
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
[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate
CID 70170361
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
(3S,4S,10R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methyloxecan-2-ol
CID 11384956

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol?
The IUPAC name of (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol (CID 16657977) is (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol.
What is the SMILES notation for (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol?
The canonical SMILES for (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol is C[C@@H]1O[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N(C)C.
What is the InChIKey of (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol?
The InChIKey is ONQKFMRFTCRJQY-WUHRBBMRSA-N. The full InChI is InChI=1S/C14H31NO3Si/c1-10-13(15(5)6)11(9-12(16)17-10)18-19(7,8)14(2,3)4/h10-13,16H,9H2,1-8H3/t10-,11-,12+,13+/m0/s1.
What are the key properties of (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol?
(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol has a molecular weight of 289.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol is sourced from PubChem (CID 16657977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).