formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one

C13H22O2 — CID 142844571

IUPACformaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one
SMILESC=O.CC1CCC(C2CCC(=O)C2)CC1
InChIInChI=1S/C12H20O.CH2O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11;1-2/h9-11H,2-8H2,1H3;1H2
InChIKeyBHZLWEFPUFDERF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.00
Rot. Bonds1

About formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one

formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one (PubChem CID 142844571) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one.

Molecular Properties

Compound Nameformaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one
PubChem CID142844571
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameformaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one
SMILESC=O.CC1CCC(C2CCC(=O)C2)CC1
InChIInChI=1S/C12H20O.CH2O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11;1-2/h9-11H,2-8H2,1H3;1H2
InChIKeyBHZLWEFPUFDERF-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one?
The IUPAC name of formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one (CID 142844571) is formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one.
What is the SMILES notation for formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one?
The canonical SMILES for formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one is C=O.CC1CCC(C2CCC(=O)C2)CC1.
What is the InChIKey of formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one?
The InChIKey is BHZLWEFPUFDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O.CH2O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11;1-2/h9-11H,2-8H2,1H3;1H2.
What are the key properties of formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one?
formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one is sourced from PubChem (CID 142844571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).