(1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane

C9H16O2 — CID 88987319

IUPAC(1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane
SMILESC=C1CC[C@@H](COOCC)C1
InChIInChI=1S/C9H16O2/c1-3-10-11-7-9-5-4-8(2)6-9/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyWSIQGTKDZNCVFJ-SECBINFHSA-N
MW156.22 g/mol
LogP2.31
Rot. Bonds4

About (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane

(1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane (PubChem CID 88987319) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane.

Molecular Properties

Compound Name(1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane
PubChem CID88987319
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane
SMILESC=C1CC[C@@H](COOCC)C1
InChIInChI=1S/C9H16O2/c1-3-10-11-7-9-5-4-8(2)6-9/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyWSIQGTKDZNCVFJ-SECBINFHSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane?
The IUPAC name of (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane (CID 88987319) is (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane.
What is the SMILES notation for (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane?
The canonical SMILES for (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane is C=C1CC[C@@H](COOCC)C1.
What is the InChIKey of (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane?
The InChIKey is WSIQGTKDZNCVFJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-11-7-9-5-4-8(2)6-9/h9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane?
(1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane has a molecular weight of 156.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane is sourced from PubChem (CID 88987319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).