3-methylpent-1-enylperoxycyclobutane

C10H18O2 — CID 150568679

IUPAC3-methylpent-1-enylperoxycyclobutane
SMILESCCC(C)C=COOC1CCC1
InChIInChI=1S/C10H18O2/c1-3-9(2)7-8-11-12-10-5-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyILJIXYYDADXCKE-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.05
Rot. Bonds5

About 3-methylpent-1-enylperoxycyclobutane

3-methylpent-1-enylperoxycyclobutane (PubChem CID 150568679) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methylpent-1-enylperoxycyclobutane.

Molecular Properties

Compound Name3-methylpent-1-enylperoxycyclobutane
PubChem CID150568679
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methylpent-1-enylperoxycyclobutane
SMILESCCC(C)C=COOC1CCC1
InChIInChI=1S/C10H18O2/c1-3-9(2)7-8-11-12-10-5-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyILJIXYYDADXCKE-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methylpent-1-enoxy)ethoxycyclobutane
CID 151569608
3-butan-2-yl-3H-dioxole;propane
CID 158632811
3-Methylpent-1-enoxymethylperoxycyclobutane
CID 177707926
3-Methylbut-1-enylperoxycyclobutane
CID 177720491

Frequently Asked Questions

What is the IUPAC name of 3-methylpent-1-enylperoxycyclobutane?
The IUPAC name of 3-methylpent-1-enylperoxycyclobutane (CID 150568679) is 3-methylpent-1-enylperoxycyclobutane.
What is the SMILES notation for 3-methylpent-1-enylperoxycyclobutane?
The canonical SMILES for 3-methylpent-1-enylperoxycyclobutane is CCC(C)C=COOC1CCC1.
What is the InChIKey of 3-methylpent-1-enylperoxycyclobutane?
The InChIKey is ILJIXYYDADXCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9(2)7-8-11-12-10-5-4-6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-methylpent-1-enylperoxycyclobutane?
3-methylpent-1-enylperoxycyclobutane has a molecular weight of 170.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-1-enylperoxycyclobutane is sourced from PubChem (CID 150568679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).