(4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol

C16H22O2Si — CID 24807343

IUPAC(4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol
SMILESC=C=C1[C@H](O)C[C@@H](c2ccccc2)O[Si]1(CC)CC
InChIInChI=1S/C16H22O2Si/c1-4-16-14(17)12-15(13-10-8-7-9-11-13)18-19(16,5-2)6-3/h7-11,14-15,17H,1,5-6,12H2,2-3H3/t14-,15+/m1/s1
InChIKeyJUADXEIQSPAJTD-CABCVRRESA-N
MW274.44 g/mol
LogP3.74
Rot. Bonds3

About (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol

(4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol (PubChem CID 24807343) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol.

Molecular Properties

Compound Name(4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol
PubChem CID24807343
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Name(4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol
SMILESC=C=C1[C@H](O)C[C@@H](c2ccccc2)O[Si]1(CC)CC
InChIInChI=1S/C16H22O2Si/c1-4-16-14(17)12-15(13-10-8-7-9-11-13)18-19(16,5-2)6-3/h7-11,14-15,17H,1,5-6,12H2,2-3H3/t14-,15+/m1/s1
InChIKeyJUADXEIQSPAJTD-CABCVRRESA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol
CID 24807342
[(4R,6S)-3-ethenylidene-2,2-diethyl-6-(furan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane
CID 11515552
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
3-[(2S,5S)-3-ethenylidene-5-phenyloxolan-2-yl]propan-1-ol
CID 102157853
[(4R,6R)-3-ethenylidene-2,2-diethyl-6-[(E)-3-phenylprop-2-enyl]oxasilinan-4-yl]oxy-trimethylsilane
CID 101387308
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
trimethyl-[(2R,3R,4S,6S)-3-methyl-2,6-diphenyloxan-4-yl]azanium
CID 23254826
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
CID 23253721
2,4-diethyl-6-phenyl-1,3-dioxane
CID 71439891

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol?
The IUPAC name of (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol (CID 24807343) is (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol.
What is the SMILES notation for (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol?
The canonical SMILES for (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol is C=C=C1[C@H](O)C[C@@H](c2ccccc2)O[Si]1(CC)CC.
What is the InChIKey of (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol?
The InChIKey is JUADXEIQSPAJTD-CABCVRRESA-N. The full InChI is InChI=1S/C16H22O2Si/c1-4-16-14(17)12-15(13-10-8-7-9-11-13)18-19(16,5-2)6-3/h7-11,14-15,17H,1,5-6,12H2,2-3H3/t14-,15+/m1/s1.
What are the key properties of (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol?
(4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol has a molecular weight of 274.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-3-ethenylidene-2,2-diethyl-6-phenyloxasilinan-4-ol is sourced from PubChem (CID 24807343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).