4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one

C13H22O2 — CID 138463470

IUPAC4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C\CC1CC(CCOC)CC1=O
InChIInChI=1S/C13H22O2/c1-3-4-5-6-12-9-11(7-8-15-2)10-13(12)14/h4-5,11-12H,3,6-10H2,1-2H3/b5-4-
InChIKeyHSNZEJSLSDNXGF-PLNGDYQASA-N
MW210.32 g/mol
LogP2.97
Rot. Bonds6

About 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one

4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one (PubChem CID 138463470) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
PubChem CID138463470
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C\CC1CC(CCOC)CC1=O
InChIInChI=1S/C13H22O2/c1-3-4-5-6-12-9-11(7-8-15-2)10-13(12)14/h4-5,11-12H,3,6-10H2,1-2H3/b5-4-
InChIKeyHSNZEJSLSDNXGF-PLNGDYQASA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.97
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 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
The IUPAC name of 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one (CID 138463470) is 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
The canonical SMILES for 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one is CC/C=C\CC1CC(CCOC)CC1=O.
What is the InChIKey of 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
The InChIKey is HSNZEJSLSDNXGF-PLNGDYQASA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-5-6-12-9-11(7-8-15-2)10-13(12)14/h4-5,11-12H,3,6-10H2,1-2H3/b5-4-.
What are the key properties of 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 138463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).