1-hydroperoxy-1-prop-1-enylcyclohexane

C9H16O2 — CID 86220905

IUPAC1-hydroperoxy-1-prop-1-enylcyclohexane
SMILESCC=CC1(OO)CCCCC1
InChIInChI=1S/C9H16O2/c1-2-6-9(11-10)7-4-3-5-8-9/h2,6,10H,3-5,7-8H2,1H3
InChIKeyYBOYAGOWKQIZKZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.76
Rot. Bonds2

About 1-hydroperoxy-1-prop-1-enylcyclohexane

1-hydroperoxy-1-prop-1-enylcyclohexane (PubChem CID 86220905) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-hydroperoxy-1-prop-1-enylcyclohexane.

Molecular Properties

Compound Name1-hydroperoxy-1-prop-1-enylcyclohexane
PubChem CID86220905
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-hydroperoxy-1-prop-1-enylcyclohexane
SMILESCC=CC1(OO)CCCCC1
InChIInChI=1S/C9H16O2/c1-2-6-9(11-10)7-4-3-5-8-9/h2,6,10H,3-5,7-8H2,1H3
InChIKeyYBOYAGOWKQIZKZ-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-prop-1-enylcyclohexane?
The IUPAC name of 1-hydroperoxy-1-prop-1-enylcyclohexane (CID 86220905) is 1-hydroperoxy-1-prop-1-enylcyclohexane.
What is the SMILES notation for 1-hydroperoxy-1-prop-1-enylcyclohexane?
The canonical SMILES for 1-hydroperoxy-1-prop-1-enylcyclohexane is CC=CC1(OO)CCCCC1.
What is the InChIKey of 1-hydroperoxy-1-prop-1-enylcyclohexane?
The InChIKey is YBOYAGOWKQIZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-6-9(11-10)7-4-3-5-8-9/h2,6,10H,3-5,7-8H2,1H3.
What are the key properties of 1-hydroperoxy-1-prop-1-enylcyclohexane?
1-hydroperoxy-1-prop-1-enylcyclohexane has a molecular weight of 156.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-prop-1-enylcyclohexane is sourced from PubChem (CID 86220905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).