bis(3-ethylcyclopentan-1-one);methane

C15H28O2 — CID 159745334

IUPACbis(3-ethylcyclopentan-1-one);methane
SMILESC.CCC1CCC(=O)C1.CCC1CCC(=O)C1
InChIInChI=1S/2C7H12O.CH4/c2*1-2-6-3-4-7(8)5-6;/h2*6H,2-5H2,1H3;1H4
InChIKeyNCYXXQBDRUCHCC-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.17
Rot. Bonds2

About bis(3-ethylcyclopentan-1-one);methane

bis(3-ethylcyclopentan-1-one);methane (PubChem CID 159745334) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is bis(3-ethylcyclopentan-1-one);methane.

Molecular Properties

Compound Namebis(3-ethylcyclopentan-1-one);methane
PubChem CID159745334
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namebis(3-ethylcyclopentan-1-one);methane
SMILESC.CCC1CCC(=O)C1.CCC1CCC(=O)C1
InChIInChI=1S/2C7H12O.CH4/c2*1-2-6-3-4-7(8)5-6;/h2*6H,2-5H2,1H3;1H4
InChIKeyNCYXXQBDRUCHCC-UHFFFAOYSA-N
XLogP4.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(3-ethylcyclopentan-1-one);methane?
The IUPAC name of bis(3-ethylcyclopentan-1-one);methane (CID 159745334) is bis(3-ethylcyclopentan-1-one);methane.
What is the SMILES notation for bis(3-ethylcyclopentan-1-one);methane?
The canonical SMILES for bis(3-ethylcyclopentan-1-one);methane is C.CCC1CCC(=O)C1.CCC1CCC(=O)C1.
What is the InChIKey of bis(3-ethylcyclopentan-1-one);methane?
The InChIKey is NCYXXQBDRUCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O.CH4/c2*1-2-6-3-4-7(8)5-6;/h2*6H,2-5H2,1H3;1H4.
What are the key properties of bis(3-ethylcyclopentan-1-one);methane?
bis(3-ethylcyclopentan-1-one);methane has a molecular weight of 240.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethylcyclopentan-1-one);methane is sourced from PubChem (CID 159745334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).