(7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one

C19H30O3 — CID 135054296

IUPAC(7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one
SMILESCCCCC(=O)C[C@@H](CCC)OOC(C)(C)c1ccccc1
InChIInChI=1S/C19H30O3/c1-5-7-14-17(20)15-18(11-6-2)21-22-19(3,4)16-12-9-8-10-13-16/h8-10,12-13,18H,5-7,11,14-15H2,1-4H3/t18-/m1/s1
InChIKeyUYMSSKVUFOJPFN-GOSISDBHSA-N
MW306.45 g/mol
LogP5.19
Rot. Bonds11

About (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one

(7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one (PubChem CID 135054296) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one.

Molecular Properties

Compound Name(7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one
PubChem CID135054296
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one
SMILESCCCCC(=O)C[C@@H](CCC)OOC(C)(C)c1ccccc1
InChIInChI=1S/C19H30O3/c1-5-7-14-17(20)15-18(11-6-2)21-22-19(3,4)16-12-9-8-10-13-16/h8-10,12-13,18H,5-7,11,14-15H2,1-4H3/t18-/m1/s1
InChIKeyUYMSSKVUFOJPFN-GOSISDBHSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylpropan-2-ylperoxy)ethyl hexanoate
CID 88658895
2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene
CID 155094998
2-phenylpropan-2-yl dodecaneperoxoate
CID 139990274
1-anilinooctan-4-one
CID 10680405
1-(2-phenylpropan-2-ylperoxy)pentan-2-ol
CID 159732482
(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one
CID 10588977
butane;2-phenylpropan-2-yl benzenecarboperoxoate
CID 174772868
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
N-tritylpentanamide
CID 71163215
2,2-diphenyltridecan-7-one
CID 91284823
3,5,5-trimethyl-2-(2-phenylpropan-2-ylperoxy)hexanoic acid
CID 54078867
7,7-dimethyl-2-(2-phenylpropan-2-yloxy)octanoic acid
CID 151442493

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one?
The IUPAC name of (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one (CID 135054296) is (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one.
What is the SMILES notation for (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one?
The canonical SMILES for (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one is CCCCC(=O)C[C@@H](CCC)OOC(C)(C)c1ccccc1.
What is the InChIKey of (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one?
The InChIKey is UYMSSKVUFOJPFN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30O3/c1-5-7-14-17(20)15-18(11-6-2)21-22-19(3,4)16-12-9-8-10-13-16/h8-10,12-13,18H,5-7,11,14-15H2,1-4H3/t18-/m1/s1.
What are the key properties of (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one?
(7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one has a molecular weight of 306.45 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one is sourced from PubChem (CID 135054296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).