cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one

C39H66O6 — CID 158392775

IUPACcycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1.CCC1CCC(=O)C1.O=C1CCCC1.O=C1CCCCC1.O=C1CCCCCC1.O=C1CCCCCCC1
InChIInChI=1S/C8H14O.2C7H12O.2C6H10O.C5H8O/c9-8-6-4-2-1-3-5-7-8;1-2-6-3-4-7(8)5-6;8-7-5-3-1-2-4-6-7;1-5-2-3-6(7)4-5;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5/h1-7H2;6H,2-5H2,1H3;1-6H2;5H,2-4H2,1H3;1-5H2;1-4H2
InChIKeyGXECFKQSODZQFX-UHFFFAOYSA-N
MW630.95 g/mol
LogP10.00
Rot. Bonds1

About cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one

cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one (PubChem CID 158392775) has the molecular formula C39H66O6 and a molecular weight of 630.95 g/mol. Its IUPAC name is cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one.

Molecular Properties

Compound Namecycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
PubChem CID158392775
Molecular FormulaC39H66O6
Molecular Weight630.95 g/mol
Exact Mass630.49
IUPAC Namecycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1.CCC1CCC(=O)C1.O=C1CCCC1.O=C1CCCCC1.O=C1CCCCCC1.O=C1CCCCCCC1
InChIInChI=1S/C8H14O.2C7H12O.2C6H10O.C5H8O/c9-8-6-4-2-1-3-5-7-8;1-2-6-3-4-7(8)5-6;8-7-5-3-1-2-4-6-7;1-5-2-3-6(7)4-5;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5/h1-7H2;6H,2-5H2,1H3;1-6H2;5H,2-4H2,1H3;1-5H2;1-4H2
InChIKeyGXECFKQSODZQFX-UHFFFAOYSA-N
XLogP10.00
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.95
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-ethylcyclononan-1-one
CID 70178778
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
3-methylcyclooctan-1-one
CID 12892221
4-ethylcycloheptan-1-one
CID 15698158
3-methylcycloheptan-1-one
CID 534955
3-methylcyclopentadecane-1,5-dione
CID 11184330
ethane;3-methylcyclopentan-1-one
CID 142926670
6-ethylcyclodecan-1-one
CID 18176981
3-(113C)methylcyclohexan-1-one
CID 11708054
2,2-dimethylbutane;3-methylcyclohexan-1-one
CID 144733405
(3R)-3-methylcyclopentadec-6-en-1-one
CID 71167606
3-ethylcyclopentadec-5-en-1-one
CID 172791519

Frequently Asked Questions

What is the IUPAC name of cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one?
The IUPAC name of cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one (CID 158392775) is cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one.
What is the SMILES notation for cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one?
The canonical SMILES for cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one is CC1CCC(=O)C1.CCC1CCC(=O)C1.O=C1CCCC1.O=C1CCCCC1.O=C1CCCCCC1.O=C1CCCCCCC1.
What is the InChIKey of cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one?
The InChIKey is GXECFKQSODZQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.2C7H12O.2C6H10O.C5H8O/c9-8-6-4-2-1-3-5-7-8;1-2-6-3-4-7(8)5-6;8-7-5-3-1-2-4-6-7;1-5-2-3-6(7)4-5;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5/h1-7H2;6H,2-5H2,1H3;1-6H2;5H,2-4H2,1H3;1-5H2;1-4H2.
What are the key properties of cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one?
cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one has a molecular weight of 630.95 g/mol, XLogP of 10.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one is sourced from PubChem (CID 158392775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).