(2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol

C18H38O4Si — CID 125485807

IUPAC(2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol
SMILESCCCCC[C@](C)(C[C@H]1CCO[C@H]1O)OO[Si](CC)(CC)CC
InChIInChI=1S/C18H38O4Si/c1-6-10-11-13-18(5,15-16-12-14-20-17(16)19)21-22-23(7-2,8-3)9-4/h16-17,19H,6-15H2,1-5H3/t16-,17-,18-/m1/s1
InChIKeyDAAIMOKWGSNALR-KZNAEPCWSA-N
MW346.58 g/mol
LogP5.02
Rot. Bonds12

About (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol

(2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol (PubChem CID 125485807) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol
PubChem CID125485807
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol
SMILESCCCCC[C@](C)(C[C@H]1CCO[C@H]1O)OO[Si](CC)(CC)CC
InChIInChI=1S/C18H38O4Si/c1-6-10-11-13-18(5,15-16-12-14-20-17(16)19)21-22-23(7-2,8-3)9-4/h16-17,19H,6-15H2,1-5H3/t16-,17-,18-/m1/s1
InChIKeyDAAIMOKWGSNALR-KZNAEPCWSA-N
XLogP5.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-pentyloxolan-2-ol
CID 13291787
3-[(E)-oct-2-enyl]oxolan-2-ol
CID 135071288
7-methyltetradecan-7-yl morpholine-4-carboxylate
CID 139318939
2-(2,2-dipentylheptyl)oxirane
CID 142689827
2-[2-(oxolan-2-yl)heptan-2-yl]oxolane
CID 141391845
2-(3-methylnonan-3-yloxymethyl)oxirane
CID 154930049
3-(2,2-dimethylhexyl)oxiran-2-ol
CID 123843770
(1-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
17-ethylperoxy-17-methyltritriacontane
CID 173208911
azane;2-(2,2-dimethyltritriacontyl)oxirane
CID 174889957
(2S)-2-trimethylsilylheptan-2-ol
CID 99771460
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol?
The IUPAC name of (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol (CID 125485807) is (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol.
What is the SMILES notation for (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol?
The canonical SMILES for (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol is CCCCC[C@](C)(C[C@H]1CCO[C@H]1O)OO[Si](CC)(CC)CC.
What is the InChIKey of (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol?
The InChIKey is DAAIMOKWGSNALR-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-6-10-11-13-18(5,15-16-12-14-20-17(16)19)21-22-23(7-2,8-3)9-4/h16-17,19H,6-15H2,1-5H3/t16-,17-,18-/m1/s1.
What are the key properties of (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol?
(2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol has a molecular weight of 346.58 g/mol, XLogP of 5.02, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol is sourced from PubChem (CID 125485807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).