4-hydroperoxy-4-propylheptane

C10H22O2 — CID 71383710

IUPAC4-hydroperoxy-4-propylheptane
SMILESCCCC(CCC)(CCC)OO
InChIInChI=1S/C10H22O2/c1-4-7-10(12-11,8-5-2)9-6-3/h11H,4-9H2,1-3H3
InChIKeyGAHGHMSTCXXYGC-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.62
Rot. Bonds7

About 4-hydroperoxy-4-propylheptane

4-hydroperoxy-4-propylheptane (PubChem CID 71383710) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-hydroperoxy-4-propylheptane.

Molecular Properties

Compound Name4-hydroperoxy-4-propylheptane
PubChem CID71383710
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-hydroperoxy-4-propylheptane
SMILESCCCC(CCC)(CCC)OO
InChIInChI=1S/C10H22O2/c1-4-7-10(12-11,8-5-2)9-6-3/h11H,4-9H2,1-3H3
InChIKeyGAHGHMSTCXXYGC-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-Ethyl-4-heptanol
CID 69013
4-Methyl-4-heptanol
CID 136394
4-Propyl-4-heptanol
CID 137476
4-Ethyl-4-hydroperoxyoctane
CID 11182923
2-Methylhexane-2-peroxol
CID 12809144
2-Methylheptane-2-peroxol
CID 12809145
3-Methylhexane-3-peroxol
CID 22918793
3-Ethyl-3-hydroperoxyhexane
CID 102093759
Lithium 4-ethylheptan-4-olate
CID 134992513
Di-t-hexyl peroxide
CID 10910592
t-Butyl t-hexyl peroxide
CID 12770142
2-Tert-butylperoxy-2-methylhexane
CID 12770143

Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxy-4-propylheptane?
The IUPAC name of 4-hydroperoxy-4-propylheptane (CID 71383710) is 4-hydroperoxy-4-propylheptane.
What is the SMILES notation for 4-hydroperoxy-4-propylheptane?
The canonical SMILES for 4-hydroperoxy-4-propylheptane is CCCC(CCC)(CCC)OO.
What is the InChIKey of 4-hydroperoxy-4-propylheptane?
The InChIKey is GAHGHMSTCXXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-7-10(12-11,8-5-2)9-6-3/h11H,4-9H2,1-3H3.
What are the key properties of 4-hydroperoxy-4-propylheptane?
4-hydroperoxy-4-propylheptane has a molecular weight of 174.28 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-4-propylheptane is sourced from PubChem (CID 71383710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).