4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one

C14H22O — CID 67125631

IUPAC4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
SMILESCC(=O)C(C)CC1(C2C=CCCC2)CC1
InChIInChI=1S/C14H22O/c1-11(12(2)15)10-14(8-9-14)13-6-4-3-5-7-13/h4,6,11,13H,3,5,7-10H2,1-2H3
InChIKeyZPDUEWQFKVCILJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds4

About 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one

4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one (PubChem CID 67125631) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
PubChem CID67125631
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
SMILESCC(=O)C(C)CC1(C2C=CCCC2)CC1
InChIInChI=1S/C14H22O/c1-11(12(2)15)10-14(8-9-14)13-6-4-3-5-7-13/h4,6,11,13H,3,5,7-10H2,1-2H3
InChIKeyZPDUEWQFKVCILJ-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
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-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one?
The IUPAC name of 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one (CID 67125631) is 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one.
What is the SMILES notation for 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one?
The canonical SMILES for 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one is CC(=O)C(C)CC1(C2C=CCCC2)CC1.
What is the InChIKey of 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one?
The InChIKey is ZPDUEWQFKVCILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(12(2)15)10-14(8-9-14)13-6-4-3-5-7-13/h4,6,11,13H,3,5,7-10H2,1-2H3.
What are the key properties of 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one?
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one has a molecular weight of 206.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one is sourced from PubChem (CID 67125631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).