5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol

C23H48O4Si2 — CID 134928395

IUPAC5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol
SMILESCC(C)[Si](C#CC(O)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H48O4Si2/c1-16(2)28(17(3)4,18(5)6)14-13-22(25)23(15-24)26-27-29(19(7)8,20(9)10)21(11)12/h16-25H,15H2,1-12H3
InChIKeyHQPAARXWWUKXEO-UHFFFAOYSA-N
MW444.81 g/mol
LogP6.05
Rot. Bonds11

About 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol

5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol (PubChem CID 134928395) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol
PubChem CID134928395
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Name5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol
SMILESCC(C)[Si](C#CC(O)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H48O4Si2/c1-16(2)28(17(3)4,18(5)6)14-13-22(25)23(15-24)26-27-29(19(7)8,20(9)10)21(11)12/h16-25H,15H2,1-12H3
InChIKeyHQPAARXWWUKXEO-UHFFFAOYSA-N
XLogP6.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
CID 11140712
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
CID 101410809
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
CID 101410810
(1S,7S,12S)-6,7,12-tris[tri(propan-2-yl)silyloxy]cyclododeca-2,4,8,10-tetrayn-1-ol
CID 134885114
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930779
(3S,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930780
(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
CID 134992909
(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-tri(propan-2-yl)silyloxyhex-4-yn-2-ol
CID 135022963
(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol
CID 162397169
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol
CID 21075959
(R)-1-((tert-Butyldimethylsilyl)oxy)-5-(trimethylsilyl)pent-4-yn-2-ol
CID 53308767

Frequently Asked Questions

What is the IUPAC name of 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol?
The IUPAC name of 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol (CID 134928395) is 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol.
What is the SMILES notation for 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol?
The canonical SMILES for 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol is CC(C)[Si](C#CC(O)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol?
The InChIKey is HQPAARXWWUKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-16(2)28(17(3)4,18(5)6)14-13-22(25)23(15-24)26-27-29(19(7)8,20(9)10)21(11)12/h16-25H,15H2,1-12H3.
What are the key properties of 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol?
5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol has a molecular weight of 444.81 g/mol, XLogP of 6.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol is sourced from PubChem (CID 134928395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).