3-hydroperoxy-2,2-dimethylpentane

C7H16O2 — CID 58226349

IUPAC3-hydroperoxy-2,2-dimethylpentane
SMILESCCC(OO)C(C)(C)C
InChIInChI=1S/C7H16O2/c1-5-6(9-8)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyQLWIBUXQUNRZQF-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.30
Rot. Bonds2

About 3-hydroperoxy-2,2-dimethylpentane

3-hydroperoxy-2,2-dimethylpentane (PubChem CID 58226349) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 3-hydroperoxy-2,2-dimethylpentane.

Molecular Properties

Compound Name3-hydroperoxy-2,2-dimethylpentane
PubChem CID58226349
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name3-hydroperoxy-2,2-dimethylpentane
SMILESCCC(OO)C(C)(C)C
InChIInChI=1S/C7H16O2/c1-5-6(9-8)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyQLWIBUXQUNRZQF-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.30
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

(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
2,2-dimethyl-3-pentoxypentane
CID 23119504
(4R)-4-methoxy-3-methylhexan-3-ol
CID 156880648
cyclopropyl 2,2-dimethylpentan-3-yl carbonate
CID 58430375
(4S)-4-methoxy-3,3-dimethylhexane
CID 88893621
4-hydroperoxy-2,2,3-trimethyl-3-propan-2-ylnonane
CID 123833206
2,2-dimethyl-3-methylsulfanylpentane
CID 123924936
methyl (2R,3S)-2-bromo-3-methoxy-2-methylpentanoate
CID 102110965
3-(2,2-dimethyloctan-3-ylperoxy)-2,2-dimethyloctane
CID 175062921
2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
CID 18426421
4,5-dichloro-2-(2,2-dimethylpentan-3-yloxycarbonyl)benzoic acid
CID 69124377

Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxy-2,2-dimethylpentane?
The IUPAC name of 3-hydroperoxy-2,2-dimethylpentane (CID 58226349) is 3-hydroperoxy-2,2-dimethylpentane.
What is the SMILES notation for 3-hydroperoxy-2,2-dimethylpentane?
The canonical SMILES for 3-hydroperoxy-2,2-dimethylpentane is CCC(OO)C(C)(C)C.
What is the InChIKey of 3-hydroperoxy-2,2-dimethylpentane?
The InChIKey is QLWIBUXQUNRZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-5-6(9-8)7(2,3)4/h6,8H,5H2,1-4H3.
What are the key properties of 3-hydroperoxy-2,2-dimethylpentane?
3-hydroperoxy-2,2-dimethylpentane has a molecular weight of 132.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxy-2,2-dimethylpentane is sourced from PubChem (CID 58226349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).