cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone

C12H18O2 — CID 13113761

IUPACcyclohexyl-(5-hydroxycyclopenten-1-yl)methanone
SMILESO=C(C1=CCCC1O)C1CCCCC1
InChIInChI=1S/C12H18O2/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h7,9,11,13H,1-6,8H2
InChIKeyOHSHEFZPDFXOTM-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.22
Rot. Bonds2

About cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone

cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone (PubChem CID 13113761) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(5-hydroxycyclopenten-1-yl)methanone
PubChem CID13113761
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecyclohexyl-(5-hydroxycyclopenten-1-yl)methanone
SMILESO=C(C1=CCCC1O)C1CCCCC1
InChIInChI=1S/C12H18O2/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h7,9,11,13H,1-6,8H2
InChIKeyOHSHEFZPDFXOTM-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone?
The IUPAC name of cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone (CID 13113761) is cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone?
The canonical SMILES for cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone is O=C(C1=CCCC1O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone?
The InChIKey is OHSHEFZPDFXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h7,9,11,13H,1-6,8H2.
What are the key properties of cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone?
cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone is sourced from PubChem (CID 13113761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).