(2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one

C15H26O2 — CID 67066937

IUPAC(2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one
SMILESCCCCCC1CC/C(=C\OC(C)(C)C)C1=O
InChIInChI=1S/C15H26O2/c1-5-6-7-8-12-9-10-13(14(12)16)11-17-15(2,3)4/h11-12H,5-10H2,1-4H3/b13-11+
InChIKeyJCTKIPSWZQYDDL-ACCUITESSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds5

About (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one

(2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one (PubChem CID 67066937) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one
PubChem CID67066937
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one
SMILESCCCCCC1CC/C(=C\OC(C)(C)C)C1=O
InChIInChI=1S/C15H26O2/c1-5-6-7-8-12-9-10-13(14(12)16)11-17-15(2,3)4/h11-12H,5-10H2,1-4H3/b13-11+
InChIKeyJCTKIPSWZQYDDL-ACCUITESSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one?
The IUPAC name of (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one (CID 67066937) is (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one?
The canonical SMILES for (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one is CCCCCC1CC/C(=C\OC(C)(C)C)C1=O.
What is the InChIKey of (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one?
The InChIKey is JCTKIPSWZQYDDL-ACCUITESSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-6-7-8-12-9-10-13(14(12)16)11-17-15(2,3)4/h11-12H,5-10H2,1-4H3/b13-11+.
What are the key properties of (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one?
(2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one has a molecular weight of 238.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one is sourced from PubChem (CID 67066937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).