3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one

C14H22O2 — CID 170700906

IUPAC3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one
SMILESCC/C=C/CCC(C)C1=C(OC)CCC1=O
InChIInChI=1S/C14H22O2/c1-4-5-6-7-8-11(2)14-12(15)9-10-13(14)16-3/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyMIQRIRSLVRAWGV-AATRIKPKSA-N
MW222.33 g/mol
LogP3.63
Rot. Bonds6

About 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one

3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one (PubChem CID 170700906) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one
PubChem CID170700906
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one
SMILESCC/C=C/CCC(C)C1=C(OC)CCC1=O
InChIInChI=1S/C14H22O2/c1-4-5-6-7-8-11(2)14-12(15)9-10-13(14)16-3/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyMIQRIRSLVRAWGV-AATRIKPKSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one (CID 170700906) is 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one is CC/C=C/CCC(C)C1=C(OC)CCC1=O.
What is the InChIKey of 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one?
The InChIKey is MIQRIRSLVRAWGV-AATRIKPKSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-6-7-8-11(2)14-12(15)9-10-13(14)16-3/h5-6,11H,4,7-10H2,1-3H3/b6-5+.
What are the key properties of 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one?
3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 170700906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).