(2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol

C14H26O2Si — CID 101143683

IUPAC(2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol
SMILESC[C@H]1C[C@H](O)[C@@H](C)O[C@H]1CCC#C[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-10-13(15)12(2)16-14(11)8-6-7-9-17(3,4)5/h11-15H,6,8,10H2,1-5H3/t11-,12+,13-,14-/m0/s1
InChIKeyWLFGQZGNPWHHDG-CRWXNKLISA-N
MW254.45 g/mol
LogP2.82
Rot. Bonds2

About (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol

(2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol (PubChem CID 101143683) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol
PubChem CID101143683
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol
SMILESC[C@H]1C[C@H](O)[C@@H](C)O[C@H]1CCC#C[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-10-13(15)12(2)16-14(11)8-6-7-9-17(3,4)5/h11-15H,6,8,10H2,1-5H3/t11-,12+,13-,14-/m0/s1
InChIKeyWLFGQZGNPWHHDG-CRWXNKLISA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol
CID 11608416
1-Cyclohexyl-2-methoxy-2-trimethylsilylethanol
CID 12552144
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol
CID 101196528
(2R)-4-[(2S,5R,6R)-6-(hydroxymethyl)-5-methyloxan-2-yl]but-3-yn-2-ol
CID 130811022
6-(Oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol
CID 135049477
(3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol
CID 60007302
(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol
CID 70882764
(2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
CID 70882785
[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
CID 90365455
(2R,3S,4S,5S,6R)-6-ethyl-5-methyl-2-prop-1-ynyloxane-3,4-diol
CID 90365468
[(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
CID 90365476
[(2R,3S,4R,5S,6S)-4,5-dimethyl-6-(2-trimethylsilylethynyl)-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
CID 90365480

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol?
The IUPAC name of (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol (CID 101143683) is (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol?
The canonical SMILES for (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol is C[C@H]1C[C@H](O)[C@@H](C)O[C@H]1CCC#C[Si](C)(C)C.
What is the InChIKey of (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol?
The InChIKey is WLFGQZGNPWHHDG-CRWXNKLISA-N. The full InChI is InChI=1S/C14H26O2Si/c1-11-10-13(15)12(2)16-14(11)8-6-7-9-17(3,4)5/h11-15H,6,8,10H2,1-5H3/t11-,12+,13-,14-/m0/s1.
What are the key properties of (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol?
(2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol has a molecular weight of 254.45 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol is sourced from PubChem (CID 101143683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).