2,2-dimethyl-1-pentoxy-1-pentylperoxypropane

C15H32O3 — CID 150603402

IUPAC2,2-dimethyl-1-pentoxy-1-pentylperoxypropane
SMILESCCCCCOOC(OCCCCC)C(C)(C)C
InChIInChI=1S/C15H32O3/c1-6-8-10-12-16-14(15(3,4)5)18-17-13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyISJGEIVBSNEYDN-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.70
Rot. Bonds11

About 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane

2,2-dimethyl-1-pentoxy-1-pentylperoxypropane (PubChem CID 150603402) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane.

Molecular Properties

Compound Name2,2-dimethyl-1-pentoxy-1-pentylperoxypropane
PubChem CID150603402
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name2,2-dimethyl-1-pentoxy-1-pentylperoxypropane
SMILESCCCCCOOC(OCCCCC)C(C)(C)C
InChIInChI=1S/C15H32O3/c1-6-8-10-12-16-14(15(3,4)5)18-17-13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyISJGEIVBSNEYDN-UHFFFAOYSA-N
XLogP4.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane
CID 150071056
2-[dodecoxy(dodecylperoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 87441562
2,2-dimethyl-3-pentoxypentane
CID 23119504
1-pentylperoxypentane;sulfane
CID 174916685
1-octylperoxynonane
CID 151564626
1-(2,2-dimethyl-1-oct-3-ynoxypropoxy)oct-3-yne
CID 169300341
1-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxyheptane
CID 146488162
1-(1-butoxy-2,2-dimethylpropoxy)-4-prop-1-en-2-ylbenzene
CID 22132053
azane;3,3-dimethyl-1,2-dipentoxybutane;hydrochloride
CID 174893450
1-(difluoromethoxy)decane
CID 14400535
1-(1-chloro-2-methylpropoxy)pentane
CID 23124473
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane?
The IUPAC name of 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane (CID 150603402) is 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane.
What is the SMILES notation for 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane?
The canonical SMILES for 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane is CCCCCOOC(OCCCCC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane?
The InChIKey is ISJGEIVBSNEYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-6-8-10-12-16-14(15(3,4)5)18-17-13-11-9-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane?
2,2-dimethyl-1-pentoxy-1-pentylperoxypropane has a molecular weight of 260.42 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pentoxy-1-pentylperoxypropane is sourced from PubChem (CID 150603402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).