5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one

C10H14O2 — CID 130031278

IUPAC5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one
SMILESC=CC1C(=O)C(OC)=CC1(C)C
InChIInChI=1S/C10H14O2/c1-5-7-9(11)8(12-4)6-10(7,2)3/h5-7H,1H2,2-4H3
InChIKeyBTBUTBXHWCWJHM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.93
Rot. Bonds2

About 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one

5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one (PubChem CID 130031278) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one
PubChem CID130031278
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one
SMILESC=CC1C(=O)C(OC)=CC1(C)C
InChIInChI=1S/C10H14O2/c1-5-7-9(11)8(12-4)6-10(7,2)3/h5-7H,1H2,2-4H3
InChIKeyBTBUTBXHWCWJHM-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.93
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 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one (CID 130031278) is 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one is C=CC1C(=O)C(OC)=CC1(C)C.
What is the InChIKey of 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one?
The InChIKey is BTBUTBXHWCWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-7-9(11)8(12-4)6-10(7,2)3/h5-7H,1H2,2-4H3.
What are the key properties of 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one?
5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methoxy-4,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 130031278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).