2-hydroperoxy-2-methyltridecane

C14H30O2 — CID 140639786

IUPAC2-hydroperoxy-2-methyltridecane
SMILESCCCCCCCCCCCC(C)(C)OO
InChIInChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)16-15/h15H,4-13H2,1-3H3
InChIKeyGWUBPDDPMMYKFS-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.18
Rot. Bonds11

About 2-hydroperoxy-2-methyltridecane

2-hydroperoxy-2-methyltridecane (PubChem CID 140639786) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-hydroperoxy-2-methyltridecane.

Molecular Properties

Compound Name2-hydroperoxy-2-methyltridecane
PubChem CID140639786
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-hydroperoxy-2-methyltridecane
SMILESCCCCCCCCCCCC(C)(C)OO
InChIInChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)16-15/h15H,4-13H2,1-3H3
InChIKeyGWUBPDDPMMYKFS-UHFFFAOYSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2-hydroperoxy-2-methylnonane
CID 15188455
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
2-methylicosan-2-yloxysilane
CID 173002328
2-ethoxy-2-methylundecane
CID 150956805
2-methylnonan-2-yl dihydrogen phosphite
CID 23352949
3-ethyl-3-hydroperoxytridecane
CID 140733477
2-dodecoxy-2-methyltetradecane
CID 158074564
(3S)-3-hydroperoxy-3-methylnonadecan-1-ol
CID 11163338
2-methyloctan-2-yl 3-hydroxypropanoate
CID 134395948
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2-methyl-2-pentylnonan-1-ol
CID 138503898

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-methyltridecane?
The IUPAC name of 2-hydroperoxy-2-methyltridecane (CID 140639786) is 2-hydroperoxy-2-methyltridecane.
What is the SMILES notation for 2-hydroperoxy-2-methyltridecane?
The canonical SMILES for 2-hydroperoxy-2-methyltridecane is CCCCCCCCCCCC(C)(C)OO.
What is the InChIKey of 2-hydroperoxy-2-methyltridecane?
The InChIKey is GWUBPDDPMMYKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)16-15/h15H,4-13H2,1-3H3.
What are the key properties of 2-hydroperoxy-2-methyltridecane?
2-hydroperoxy-2-methyltridecane has a molecular weight of 230.39 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methyltridecane is sourced from PubChem (CID 140639786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).