(4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol

C21H38O2Si2 — CID 24807342

IUPAC(4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol
SMILESC=C=C1[C@H](O)C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si]1(CC)CC
InChIInChI=1S/C21H38O2Si2/c1-10-21-20(22)15-19(23-24(21,11-2)12-3)13-14-25(16(4)5,17(6)7)18(8)9/h16-20,22H,1,11-12,15H2,2-9H3/t19-,20-/m1/s1
InChIKeyHDANBKWFPKUJPI-WOJBJXKFSA-N
MW378.71 g/mol
LogP5.59
Rot. Bonds5

About (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol

(4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol (PubChem CID 24807342) has the molecular formula C21H38O2Si2 and a molecular weight of 378.71 g/mol. Its IUPAC name is (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol.

Molecular Properties

Compound Name(4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol
PubChem CID24807342
Molecular FormulaC21H38O2Si2
Molecular Weight378.71 g/mol
Exact Mass378.24
IUPAC Name(4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol
SMILESC=C=C1[C@H](O)C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si]1(CC)CC
InChIInChI=1S/C21H38O2Si2/c1-10-21-20(22)15-19(23-24(21,11-2)12-3)13-14-25(16(4)5,17(6)7)18(8)9/h16-20,22H,1,11-12,15H2,2-9H3/t19-,20-/m1/s1
InChIKeyHDANBKWFPKUJPI-WOJBJXKFSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 55.59
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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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol?
The IUPAC name of (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol (CID 24807342) is (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol.
What is the SMILES notation for (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol?
The canonical SMILES for (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol is C=C=C1[C@H](O)C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si]1(CC)CC.
What is the InChIKey of (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol?
The InChIKey is HDANBKWFPKUJPI-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H38O2Si2/c1-10-21-20(22)15-19(23-24(21,11-2)12-3)13-14-25(16(4)5,17(6)7)18(8)9/h16-20,22H,1,11-12,15H2,2-9H3/t19-,20-/m1/s1.
What are the key properties of (4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol?
(4R,6S)-3-ethenylidene-2,2-diethyl-6-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol has a molecular weight of 378.71 g/mol, XLogP of 5.59, 5 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-[2-tri(propan-2-yl)silylethynyl]oxasilinan-4-ol is sourced from PubChem (CID 24807342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).