1-hydroperoxy-5-propylcyclohexene

C9H16O2 — CID 89062176

IUPAC1-hydroperoxy-5-propylcyclohexene
SMILESCCCC1CCC=C(OO)C1
InChIInChI=1S/C9H16O2/c1-2-4-8-5-3-6-9(7-8)11-10/h6,8,10H,2-5,7H2,1H3
InChIKeyOFTDPRVQMKYARY-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.96
Rot. Bonds3

About 1-hydroperoxy-5-propylcyclohexene

1-hydroperoxy-5-propylcyclohexene (PubChem CID 89062176) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-hydroperoxy-5-propylcyclohexene.

Molecular Properties

Compound Name1-hydroperoxy-5-propylcyclohexene
PubChem CID89062176
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name1-hydroperoxy-5-propylcyclohexene
SMILESCCCC1CCC=C(OO)C1
InChIInChI=1S/C9H16O2/c1-2-4-8-5-3-6-9(7-8)11-10/h6,8,10H,2-5,7H2,1H3
InChIKeyOFTDPRVQMKYARY-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.96
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-5-propylcyclohexene?
The IUPAC name of 1-hydroperoxy-5-propylcyclohexene (CID 89062176) is 1-hydroperoxy-5-propylcyclohexene.
What is the SMILES notation for 1-hydroperoxy-5-propylcyclohexene?
The canonical SMILES for 1-hydroperoxy-5-propylcyclohexene is CCCC1CCC=C(OO)C1.
What is the InChIKey of 1-hydroperoxy-5-propylcyclohexene?
The InChIKey is OFTDPRVQMKYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-4-8-5-3-6-9(7-8)11-10/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 1-hydroperoxy-5-propylcyclohexene?
1-hydroperoxy-5-propylcyclohexene has a molecular weight of 156.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-5-propylcyclohexene is sourced from PubChem (CID 89062176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).