2-ethenylperoxy-2-methylpropane;hexan-1-ol

C12H26O3 — CID 174264203

IUPAC2-ethenylperoxy-2-methylpropane;hexan-1-ol
SMILESC=COOC(C)(C)C.CCCCCCO
InChIInChI=1S/C6H12O2.C6H14O/c1-5-7-8-6(2,3)4;1-2-3-4-5-6-7/h5H,1H2,2-4H3;7H,2-6H2,1H3
InChIKeyGOOOBQKRVUWJQV-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.44
Rot. Bonds6

About 2-ethenylperoxy-2-methylpropane;hexan-1-ol

2-ethenylperoxy-2-methylpropane;hexan-1-ol (PubChem CID 174264203) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-ethenylperoxy-2-methylpropane;hexan-1-ol.

Molecular Properties

Compound Name2-ethenylperoxy-2-methylpropane;hexan-1-ol
PubChem CID174264203
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2-ethenylperoxy-2-methylpropane;hexan-1-ol
SMILESC=COOC(C)(C)C.CCCCCCO
InChIInChI=1S/C6H12O2.C6H14O/c1-5-7-8-6(2,3)4;1-2-3-4-5-6-7/h5H,1H2,2-4H3;7H,2-6H2,1H3
InChIKeyGOOOBQKRVUWJQV-UHFFFAOYSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

decane;pentan-1-ol;prop-1-ene
CID 174418987
ethene;hexan-1-ol
CID 88694978
heptan-1-ol;nonan-1-ol
CID 160785033
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242

Frequently Asked Questions

What is the IUPAC name of 2-ethenylperoxy-2-methylpropane;hexan-1-ol?
The IUPAC name of 2-ethenylperoxy-2-methylpropane;hexan-1-ol (CID 174264203) is 2-ethenylperoxy-2-methylpropane;hexan-1-ol.
What is the SMILES notation for 2-ethenylperoxy-2-methylpropane;hexan-1-ol?
The canonical SMILES for 2-ethenylperoxy-2-methylpropane;hexan-1-ol is C=COOC(C)(C)C.CCCCCCO.
What is the InChIKey of 2-ethenylperoxy-2-methylpropane;hexan-1-ol?
The InChIKey is GOOOBQKRVUWJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C6H14O/c1-5-7-8-6(2,3)4;1-2-3-4-5-6-7/h5H,1H2,2-4H3;7H,2-6H2,1H3.
What are the key properties of 2-ethenylperoxy-2-methylpropane;hexan-1-ol?
2-ethenylperoxy-2-methylpropane;hexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylperoxy-2-methylpropane;hexan-1-ol is sourced from PubChem (CID 174264203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).