[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol

C14H28O3Si — CID 56593730

IUPAC[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C14H28O3Si/c1-7-11-8-9-12(13(10-15)16-11)17-18(5,6)14(2,3)4/h7,11-13,15H,1,8-10H2,2-6H3/t11-,12-,13+/m0/s1
InChIKeyVJDLJDSMUQCNHA-RWMBFGLXSA-N
MW272.46 g/mol
LogP3.10
Rot. Bonds4

About [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol

[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol (PubChem CID 56593730) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
PubChem CID56593730
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C14H28O3Si/c1-7-11-8-9-12(13(10-15)16-11)17-18(5,6)14(2,3)4/h7,11-13,15H,1,8-10H2,2-6H3/t11-,12-,13+/m0/s1
InChIKeyVJDLJDSMUQCNHA-RWMBFGLXSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.10
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

(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(1S,2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 11288769
tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
(1S,2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 102377682
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
CID 134842406
(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol
CID 134860644
[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol
CID 59890636
(2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol
CID 130391080
2-[(2R)-oxan-2-yl]-1-trimethylsilylprop-2-en-1-ol
CID 10375963
(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 11370453

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol?
The IUPAC name of [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol (CID 56593730) is [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol is C=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1.
What is the InChIKey of [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol?
The InChIKey is VJDLJDSMUQCNHA-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-11-8-9-12(13(10-15)16-11)17-18(5,6)14(2,3)4/h7,11-13,15H,1,8-10H2,2-6H3/t11-,12-,13+/m0/s1.
What are the key properties of [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol?
[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol has a molecular weight of 272.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol is sourced from PubChem (CID 56593730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).