cyclopentanone;heptane

C12H24O — CID 20975482

IUPACcyclopentanone;heptane
SMILESCCCCCCC.O=C1CCCC1
InChIInChI=1S/C7H16.C5H8O/c1-3-5-7-6-4-2;6-5-3-1-2-4-5/h3-7H2,1-2H3;1-4H2
InChIKeyWMSLMKWQKJFVSW-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.11
Rot. Bonds4

About cyclopentanone;heptane

cyclopentanone;heptane (PubChem CID 20975482) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is cyclopentanone;heptane.

Molecular Properties

Compound Namecyclopentanone;heptane
PubChem CID20975482
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namecyclopentanone;heptane
SMILESCCCCCCC.O=C1CCCC1
InChIInChI=1S/C7H16.C5H8O/c1-3-5-7-6-4-2;6-5-3-1-2-4-5/h3-7H2,1-2H3;1-4H2
InChIKeyWMSLMKWQKJFVSW-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclohexanone;pentan-1-ol
CID 70403425
6-decylcyclododecan-1-one
CID 21490531
butane;cyclobutanone
CID 158137998
cyclobutanone;undecanoic acid
CID 53445946
cyclohexanone;ethanol
CID 66906383
cyclohexane-1,3-dione;N,N-dioctyloctan-1-amine
CID 175027248
4,4-dipentylcycloheptan-1-one
CID 54342464
1-pentadecylpiperidin-4-one
CID 10267366
4-decylcyclohexan-1-one
CID 13479948
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
(3S)-3-hexylcyclohexan-1-one
CID 15091678
3-octylcyclohexan-1-one
CID 11830718

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;heptane?
The IUPAC name of cyclopentanone;heptane (CID 20975482) is cyclopentanone;heptane.
What is the SMILES notation for cyclopentanone;heptane?
The canonical SMILES for cyclopentanone;heptane is CCCCCCC.O=C1CCCC1.
What is the InChIKey of cyclopentanone;heptane?
The InChIKey is WMSLMKWQKJFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H8O/c1-3-5-7-6-4-2;6-5-3-1-2-4-5/h3-7H2,1-2H3;1-4H2.
What are the key properties of cyclopentanone;heptane?
cyclopentanone;heptane has a molecular weight of 184.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;heptane is sourced from PubChem (CID 20975482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).