cycloheptanone;cyclohexanone;cyclopentanone;ethane

C30H66O3 — CID 158721030

IUPACcycloheptanone;cyclohexanone;cyclopentanone;ethane
SMILESCC.CC.CC.CC.CC.CC.O=C1CCCC1.O=C1CCCCC1.O=C1CCCCCC1
InChIInChI=1S/C7H12O.C6H10O.C5H8O.6C2H6/c8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5;6*1-2/h1-6H2;1-5H2;1-4H2;6*1-2H3
InChIKeyIJXLUXKSWBPONK-UHFFFAOYSA-N
MW474.86 g/mol
LogP10.72
Rot. Bonds

About cycloheptanone;cyclohexanone;cyclopentanone;ethane

cycloheptanone;cyclohexanone;cyclopentanone;ethane (PubChem CID 158721030) has the molecular formula C30H66O3 and a molecular weight of 474.86 g/mol. Its IUPAC name is cycloheptanone;cyclohexanone;cyclopentanone;ethane.

Molecular Properties

Compound Namecycloheptanone;cyclohexanone;cyclopentanone;ethane
PubChem CID158721030
Molecular FormulaC30H66O3
Molecular Weight474.86 g/mol
Exact Mass474.50
IUPAC Namecycloheptanone;cyclohexanone;cyclopentanone;ethane
SMILESCC.CC.CC.CC.CC.CC.O=C1CCCC1.O=C1CCCCC1.O=C1CCCCCC1
InChIInChI=1S/C7H12O.C6H10O.C5H8O.6C2H6/c8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5;6*1-2/h1-6H2;1-5H2;1-4H2;6*1-2H3
InChIKeyIJXLUXKSWBPONK-UHFFFAOYSA-N
XLogP10.72
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptanone;cyclohexanone;cyclopentanone;ethane?
The IUPAC name of cycloheptanone;cyclohexanone;cyclopentanone;ethane (CID 158721030) is cycloheptanone;cyclohexanone;cyclopentanone;ethane.
What is the SMILES notation for cycloheptanone;cyclohexanone;cyclopentanone;ethane?
The canonical SMILES for cycloheptanone;cyclohexanone;cyclopentanone;ethane is CC.CC.CC.CC.CC.CC.O=C1CCCC1.O=C1CCCCC1.O=C1CCCCCC1.
What is the InChIKey of cycloheptanone;cyclohexanone;cyclopentanone;ethane?
The InChIKey is IJXLUXKSWBPONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C6H10O.C5H8O.6C2H6/c8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5;6*1-2/h1-6H2;1-5H2;1-4H2;6*1-2H3.
What are the key properties of cycloheptanone;cyclohexanone;cyclopentanone;ethane?
cycloheptanone;cyclohexanone;cyclopentanone;ethane has a molecular weight of 474.86 g/mol, XLogP of 10.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanone;cyclohexanone;cyclopentanone;ethane is sourced from PubChem (CID 158721030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).