1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane

C10H18O3 — CID 10559464

IUPAC1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane
SMILESC=C(C)COC1(OO)CCCCC1
InChIInChI=1S/C10H18O3/c1-9(2)8-12-10(13-11)6-4-3-5-7-10/h11H,1,3-8H2,2H3
InChIKeyUWBWYOZEFXOFFW-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.73
Rot. Bonds4

About 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane

1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane (PubChem CID 10559464) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane.

Molecular Properties

Compound Name1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane
PubChem CID10559464
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane
SMILESC=C(C)COC1(OO)CCCCC1
InChIInChI=1S/C10H18O3/c1-9(2)8-12-10(13-11)6-4-3-5-7-10/h11H,1,3-8H2,2H3
InChIKeyUWBWYOZEFXOFFW-UHFFFAOYSA-N
XLogP2.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(2-methylprop-2-enoxy)cyclohexane?
The IUPAC name of 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane (CID 10559464) is 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane.
What is the SMILES notation for 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane?
The canonical SMILES for 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane is C=C(C)COC1(OO)CCCCC1.
What is the InChIKey of 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane?
The InChIKey is UWBWYOZEFXOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)8-12-10(13-11)6-4-3-5-7-10/h11H,1,3-8H2,2H3.
What are the key properties of 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane?
1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane has a molecular weight of 186.25 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-(2-methylprop-2-enoxy)cyclohexane is sourced from PubChem (CID 10559464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).