3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one

C14H22O — CID 62078476

IUPAC3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)C1=CCCC1
InChIInChI=1S/C14H22O/c15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h8,12H,1-7,9-11H2
InChIKeyVIFRYMKCACDVTK-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.03
Rot. Bonds4

About 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one

3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one (PubChem CID 62078476) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
PubChem CID62078476
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)C1=CCCC1
InChIInChI=1S/C14H22O/c15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h8,12H,1-7,9-11H2
InChIKeyVIFRYMKCACDVTK-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one (CID 62078476) is 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one is O=C(CCC1CCCCC1)C1=CCCC1.
What is the InChIKey of 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one?
The InChIKey is VIFRYMKCACDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h8,12H,1-7,9-11H2.
What are the key properties of 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one?
3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one has a molecular weight of 206.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one is sourced from PubChem (CID 62078476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).