4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene

C12H22O2 — CID 5314759

IUPAC4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene
SMILESC=CC(OOC(C)(C)C=C)C(C)(C)C
InChIInChI=1S/C12H22O2/c1-8-10(11(3,4)5)13-14-12(6,7)9-2/h8-10H,1-2H2,3-7H3
InChIKeyQJRVRIPQHJYPIO-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.50
Rot. Bonds5

About 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene

4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene (PubChem CID 5314759) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene
PubChem CID5314759
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene
SMILESC=CC(OOC(C)(C)C=C)C(C)(C)C
InChIInChI=1S/C12H22O2/c1-8-10(11(3,4)5)13-14-12(6,7)9-2/h8-10H,1-2H2,3-7H3
InChIKeyQJRVRIPQHJYPIO-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.50
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 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene?
The IUPAC name of 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene (CID 5314759) is 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene.
What is the SMILES notation for 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene?
The canonical SMILES for 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene is C=CC(OOC(C)(C)C=C)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene?
The InChIKey is QJRVRIPQHJYPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8-10(11(3,4)5)13-14-12(6,7)9-2/h8-10H,1-2H2,3-7H3.
What are the key properties of 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene?
4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene has a molecular weight of 198.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-methylbut-3-en-2-ylperoxy)pent-1-ene is sourced from PubChem (CID 5314759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).