4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one

C14H22O — CID 154208705

IUPAC4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1=CCC(C(C)C)C1
InChIInChI=1S/C14H22O/c1-10(2)5-8-14(15)13-7-6-12(9-13)11(3)4/h7,11-12H,1,5-6,8-9H2,2-4H3
InChIKeyYRTFLEXPURDWMZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.90
Rot. Bonds5

About 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one

4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one (PubChem CID 154208705) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one
PubChem CID154208705
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1=CCC(C(C)C)C1
InChIInChI=1S/C14H22O/c1-10(2)5-8-14(15)13-7-6-12(9-13)11(3)4/h7,11-12H,1,5-6,8-9H2,2-4H3
InChIKeyYRTFLEXPURDWMZ-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one?
The IUPAC name of 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one (CID 154208705) is 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one is C=C(C)CCC(=O)C1=CCC(C(C)C)C1.
What is the InChIKey of 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one?
The InChIKey is YRTFLEXPURDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)5-8-14(15)13-7-6-12(9-13)11(3)4/h7,11-12H,1,5-6,8-9H2,2-4H3.
What are the key properties of 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one?
4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-ylcyclopenten-1-yl)pent-4-en-1-one is sourced from PubChem (CID 154208705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).