3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol

C26H56O3Si — CID 73026695

IUPAC3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(C)(CCO)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(5,23-24-27)28-29-30(6,7)25(2,3)4/h27H,8-24H2,1-7H3
InChIKeyNMRQEMNMVWUFBA-UHFFFAOYSA-N
MW444.82 g/mol
LogP8.95
Rot. Bonds20

About 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol

3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol (PubChem CID 73026695) has the molecular formula C26H56O3Si and a molecular weight of 444.82 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol
PubChem CID73026695
Molecular FormulaC26H56O3Si
Molecular Weight444.82 g/mol
Exact Mass444.40
IUPAC Name3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(C)(CCO)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(5,23-24-27)28-29-30(6,7)25(2,3)4/h27H,8-24H2,1-7H3
InChIKeyNMRQEMNMVWUFBA-UHFFFAOYSA-N
XLogP8.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.82
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

(3S)-3-hydroperoxy-3-methylnonadecan-1-ol
CID 11163338
(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 11673678
4-Hydroperoxy-4-methylicosan-2-ol
CID 73016128
4-[Tert-butyl(dimethyl)silyl]peroxy-4-methylicosan-2-ol
CID 73036484
3-Hydroperoxy-3-methylnonadecan-1-ol
CID 85420944
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol
CID 101399728
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol
CID 134838175
(4S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methylnonan-1-ol
CID 134846478
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol
CID 134857526
(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol
CID 134864007

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol (CID 73026695) is 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol is CCCCCCCCCCCCCCCCC(C)(CCO)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol?
The InChIKey is NMRQEMNMVWUFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(5,23-24-27)28-29-30(6,7)25(2,3)4/h27H,8-24H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol?
3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol has a molecular weight of 444.82 g/mol, XLogP of 8.95, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecan-1-ol is sourced from PubChem (CID 73026695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).