cyclopentanone;2,2-dimethylpropane

C10H20O — CID 157268404

IUPACcyclopentanone;2,2-dimethylpropane
SMILESCC(C)(C)C.O=C1CCCC1
InChIInChI=1S/C5H8O.C5H12/c6-5-3-1-2-4-5;1-5(2,3)4/h1-4H2;1-4H3
InChIKeyAYGIEUXEMLAEIB-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.18
Rot. Bonds

About cyclopentanone;2,2-dimethylpropane

cyclopentanone;2,2-dimethylpropane (PubChem CID 157268404) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is cyclopentanone;2,2-dimethylpropane.

Molecular Properties

Compound Namecyclopentanone;2,2-dimethylpropane
PubChem CID157268404
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namecyclopentanone;2,2-dimethylpropane
SMILESCC(C)(C)C.O=C1CCCC1
InChIInChI=1S/C5H8O.C5H12/c6-5-3-1-2-4-5;1-5(2,3)4/h1-4H2;1-4H3
InChIKeyAYGIEUXEMLAEIB-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopentanone;2,2-dimethylpropane?
The IUPAC name of cyclopentanone;2,2-dimethylpropane (CID 157268404) is cyclopentanone;2,2-dimethylpropane.
What is the SMILES notation for cyclopentanone;2,2-dimethylpropane?
The canonical SMILES for cyclopentanone;2,2-dimethylpropane is CC(C)(C)C.O=C1CCCC1.
What is the InChIKey of cyclopentanone;2,2-dimethylpropane?
The InChIKey is AYGIEUXEMLAEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C5H12/c6-5-3-1-2-4-5;1-5(2,3)4/h1-4H2;1-4H3.
What are the key properties of cyclopentanone;2,2-dimethylpropane?
cyclopentanone;2,2-dimethylpropane has a molecular weight of 156.27 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;2,2-dimethylpropane is sourced from PubChem (CID 157268404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).