3-(2-methylbutan-2-ylperoxy)cyclohexene

C11H20O2 — CID 151959441

IUPAC3-(2-methylbutan-2-ylperoxy)cyclohexene
SMILESCCC(C)(C)OOC1C=CCCC1
InChIInChI=1S/C11H20O2/c1-4-11(2,3)13-12-10-8-6-5-7-9-10/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyTYIHKQGYBXNYRT-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds4

About 3-(2-methylbutan-2-ylperoxy)cyclohexene

3-(2-methylbutan-2-ylperoxy)cyclohexene (PubChem CID 151959441) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-methylbutan-2-ylperoxy)cyclohexene.

Molecular Properties

Compound Name3-(2-methylbutan-2-ylperoxy)cyclohexene
PubChem CID151959441
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(2-methylbutan-2-ylperoxy)cyclohexene
SMILESCCC(C)(C)OOC1C=CCCC1
InChIInChI=1S/C11H20O2/c1-4-11(2,3)13-12-10-8-6-5-7-9-10/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyTYIHKQGYBXNYRT-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 3-(2-methylbutan-2-ylperoxy)cyclohexene?
The IUPAC name of 3-(2-methylbutan-2-ylperoxy)cyclohexene (CID 151959441) is 3-(2-methylbutan-2-ylperoxy)cyclohexene.
What is the SMILES notation for 3-(2-methylbutan-2-ylperoxy)cyclohexene?
The canonical SMILES for 3-(2-methylbutan-2-ylperoxy)cyclohexene is CCC(C)(C)OOC1C=CCCC1.
What is the InChIKey of 3-(2-methylbutan-2-ylperoxy)cyclohexene?
The InChIKey is TYIHKQGYBXNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(2,3)13-12-10-8-6-5-7-9-10/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 3-(2-methylbutan-2-ylperoxy)cyclohexene?
3-(2-methylbutan-2-ylperoxy)cyclohexene has a molecular weight of 184.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-ylperoxy)cyclohexene is sourced from PubChem (CID 151959441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).