1-hydroperoxy-1-methylcyclopentane

C6H12O2 — CID 14745414

IUPAC1-hydroperoxy-1-methylcyclopentane
SMILESCC1(OO)CCCC1
InChIInChI=1S/C6H12O2/c1-6(8-7)4-2-3-5-6/h7H,2-5H2,1H3
InChIKeyHTJGRZDJSPNCJU-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.81
Rot. Bonds1

About 1-hydroperoxy-1-methylcyclopentane

1-hydroperoxy-1-methylcyclopentane (PubChem CID 14745414) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-hydroperoxy-1-methylcyclopentane.

Molecular Properties

Compound Name1-hydroperoxy-1-methylcyclopentane
PubChem CID14745414
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-hydroperoxy-1-methylcyclopentane
SMILESCC1(OO)CCCC1
InChIInChI=1S/C6H12O2/c1-6(8-7)4-2-3-5-6/h7H,2-5H2,1H3
InChIKeyHTJGRZDJSPNCJU-UHFFFAOYSA-N
XLogP1.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-1-methylcyclopentane?
The IUPAC name of 1-hydroperoxy-1-methylcyclopentane (CID 14745414) is 1-hydroperoxy-1-methylcyclopentane.
What is the SMILES notation for 1-hydroperoxy-1-methylcyclopentane?
The canonical SMILES for 1-hydroperoxy-1-methylcyclopentane is CC1(OO)CCCC1.
What is the InChIKey of 1-hydroperoxy-1-methylcyclopentane?
The InChIKey is HTJGRZDJSPNCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(8-7)4-2-3-5-6/h7H,2-5H2,1H3.
What are the key properties of 1-hydroperoxy-1-methylcyclopentane?
1-hydroperoxy-1-methylcyclopentane has a molecular weight of 116.16 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-methylcyclopentane is sourced from PubChem (CID 14745414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).