1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane

C17H34O2 — CID 151366818

IUPAC1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane
SMILESCCCCC1(CCCC)CCC(CCC)(OO)CC1
InChIInChI=1S/C17H34O2/c1-4-7-10-16(11-8-5-2)12-14-17(19-18,9-6-3)15-13-16/h18H,4-15H2,1-3H3
InChIKeyOPPJKVURPFYIJK-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.96
Rot. Bonds9

About 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane

1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane (PubChem CID 151366818) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane.

Molecular Properties

Compound Name1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane
PubChem CID151366818
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane
SMILESCCCCC1(CCCC)CCC(CCC)(OO)CC1
InChIInChI=1S/C17H34O2/c1-4-7-10-16(11-8-5-2)12-14-17(19-18,9-6-3)15-13-16/h18H,4-15H2,1-3H3
InChIKeyOPPJKVURPFYIJK-UHFFFAOYSA-N
XLogP5.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.96
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 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane?
The IUPAC name of 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane (CID 151366818) is 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane.
What is the SMILES notation for 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane?
The canonical SMILES for 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane is CCCCC1(CCCC)CCC(CCC)(OO)CC1.
What is the InChIKey of 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane?
The InChIKey is OPPJKVURPFYIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-7-10-16(11-8-5-2)12-14-17(19-18,9-6-3)15-13-16/h18H,4-15H2,1-3H3.
What are the key properties of 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane?
1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane has a molecular weight of 270.46 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-4-hydroperoxy-4-propylcyclohexane is sourced from PubChem (CID 151366818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).