(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane

C15H32O2 — CID 142862015

IUPAC(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane
SMILESCCC.CCCC(C)C/C=C(\C)C[C@@H](C)OO
InChIInChI=1S/C12H24O2.C3H8/c1-5-6-10(2)7-8-11(3)9-12(4)14-13;1-3-2/h8,10,12-13H,5-7,9H2,1-4H3;3H2,1-2H3/b11-8+;/t10?,12-;/m1./s1
InChIKeyZXXUEVLODKPMEN-BKZQBHMDSA-N
MW244.42 g/mol
LogP5.44
Rot. Bonds7

About (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane

(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane (PubChem CID 142862015) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane.

Molecular Properties

Compound Name(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane
PubChem CID142862015
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane
SMILESCCC.CCCC(C)C/C=C(\C)C[C@@H](C)OO
InChIInChI=1S/C12H24O2.C3H8/c1-5-6-10(2)7-8-11(3)9-12(4)14-13;1-3-2/h8,10,12-13H,5-7,9H2,1-4H3;3H2,1-2H3/b11-8+;/t10?,12-;/m1./s1
InChIKeyZXXUEVLODKPMEN-BKZQBHMDSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane?
The IUPAC name of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane (CID 142862015) is (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane.
What is the SMILES notation for (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane?
The canonical SMILES for (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane is CCC.CCCC(C)C/C=C(\C)C[C@@H](C)OO.
What is the InChIKey of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane?
The InChIKey is ZXXUEVLODKPMEN-BKZQBHMDSA-N. The full InChI is InChI=1S/C12H24O2.C3H8/c1-5-6-10(2)7-8-11(3)9-12(4)14-13;1-3-2/h8,10,12-13H,5-7,9H2,1-4H3;3H2,1-2H3/b11-8+;/t10?,12-;/m1./s1.
What are the key properties of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane?
(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane has a molecular weight of 244.42 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene;propane is sourced from PubChem (CID 142862015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).