2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane

C15H32O3 — CID 150071056

IUPAC2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane
SMILESCCCCCOOC(OCCC(C)C)C(C)(C)C
InChIInChI=1S/C15H32O3/c1-7-8-9-11-17-18-14(15(4,5)6)16-12-10-13(2)3/h13-14H,7-12H2,1-6H3
InChIKeyDPHAMNCHMCTEDS-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.56
Rot. Bonds10

About 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane

2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane (PubChem CID 150071056) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane
PubChem CID150071056
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane
SMILESCCCCCOOC(OCCC(C)C)C(C)(C)C
InChIInChI=1S/C15H32O3/c1-7-8-9-11-17-18-14(15(4,5)6)16-12-10-13(2)3/h13-14H,7-12H2,1-6H3
InChIKeyDPHAMNCHMCTEDS-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.56
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'}

Analyze 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-pentoxy-1-pentylperoxypropane
CID 150603402
1-(3-methylbutylperoxy)hexane
CID 87872309
2-[dodecoxy(dodecylperoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 87441562
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
6-methyl-1,1-dioctoxyheptane
CID 171428766
1,1-bis(butylperoxy)-2,5-dimethylhexane
CID 87997374
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
1-(3-methylbutoxy)pentan-1-ol
CID 87974594
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
1-O-(3-methylbutyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91691712
hexane;2-methylpentane
CID 19835603

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane?
The IUPAC name of 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane (CID 150071056) is 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane?
The canonical SMILES for 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane is CCCCCOOC(OCCC(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane?
The InChIKey is DPHAMNCHMCTEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-7-8-9-11-17-18-14(15(4,5)6)16-12-10-13(2)3/h13-14H,7-12H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane?
2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane has a molecular weight of 260.42 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylbutoxy)-1-pentylperoxypropane is sourced from PubChem (CID 150071056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).