cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone

C13H20O2 — CID 106652334

IUPACcyclohepten-1-yl-(1-hydroxycyclopentyl)methanone
SMILESO=C(C1=CCCCCC1)C1(O)CCCC1
InChIInChI=1S/C13H20O2/c14-12(13(15)9-5-6-10-13)11-7-3-1-2-4-8-11/h7,15H,1-6,8-10H2
InChIKeyQYIVKSJUYXJPJE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.75
Rot. Bonds2

About cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone

cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone (PubChem CID 106652334) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-hydroxycyclopentyl)methanone
PubChem CID106652334
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecyclohepten-1-yl-(1-hydroxycyclopentyl)methanone
SMILESO=C(C1=CCCCCC1)C1(O)CCCC1
InChIInChI=1S/C13H20O2/c14-12(13(15)9-5-6-10-13)11-7-3-1-2-4-8-11/h7,15H,1-6,8-10H2
InChIKeyQYIVKSJUYXJPJE-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1-Hydroxycyclopentyl)cyclohept-2-en-1-one
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6-Hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone (CID 106652334) is cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone is O=C(C1=CCCCCC1)C1(O)CCCC1.
What is the InChIKey of cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone?
The InChIKey is QYIVKSJUYXJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-12(13(15)9-5-6-10-13)11-7-3-1-2-4-8-11/h7,15H,1-6,8-10H2.
What are the key properties of cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone?
cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 106652334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).