3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol

C17H40O4Si2 — CID 101410810

IUPAC3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
SMILESCCC(O[Si](C)(C)C)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H40O4Si2/c1-11-16(20-22(8,9)10)17(12-18)19-21-23(13(2)3,14(4)5)15(6)7/h13-18H,11-12H2,1-10H3
InChIKeyVNBVAIFFZQRPLA-UHFFFAOYSA-N
MW364.68 g/mol
LogP5.10
Rot. Bonds11

About 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol

3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol (PubChem CID 101410810) has the molecular formula C17H40O4Si2 and a molecular weight of 364.68 g/mol. Its IUPAC name is 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol.

Molecular Properties

Compound Name3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
PubChem CID101410810
Molecular FormulaC17H40O4Si2
Molecular Weight364.68 g/mol
Exact Mass364.25
IUPAC Name3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
SMILESCCC(O[Si](C)(C)C)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H40O4Si2/c1-11-16(20-22(8,9)10)17(12-18)19-21-23(13(2)3,14(4)5)15(6)7/h13-18H,11-12H2,1-10H3
InChIKeyVNBVAIFFZQRPLA-UHFFFAOYSA-N
XLogP5.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.68
LogP ≤ 55.10
H-Bond Donors ≤ 51
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'}

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Related Compounds

(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
CID 101410809
4,4-Dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
CID 101410812
1-(3-Dimethylsilyl)propyl-oxy-2-trimethylsilyloxyethane
CID 129699632
Hexa-tms-glycerol
CID 129844551
5-Tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol
CID 134928395
(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol
CID 135016182
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxypentane-2,3-diol
CID 154718482
Erythritol, tri-TMS
CID 6430530
1,3-O-Bis(triisopropylsilyl) Glycerol
CID 10960470
2,2,3,3,10,10,11,11-Octamethyl-4,9-dioxa-3,10-disiladodecan-6-ol
CID 11416377
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 11759848

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
The IUPAC name of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol (CID 101410810) is 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol.
What is the SMILES notation for 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
The canonical SMILES for 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol is CCC(O[Si](C)(C)C)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
The InChIKey is VNBVAIFFZQRPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O4Si2/c1-11-16(20-22(8,9)10)17(12-18)19-21-23(13(2)3,14(4)5)15(6)7/h13-18H,11-12H2,1-10H3.
What are the key properties of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol has a molecular weight of 364.68 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol is sourced from PubChem (CID 101410810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).