ethane;3-methylcyclopentan-1-one

C8H16O — CID 142926670

IUPACethane;3-methylcyclopentan-1-one
SMILESCC.CC1CCC(=O)C1
InChIInChI=1S/C6H10O.C2H6/c1-5-2-3-6(7)4-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyAZODGUAKFSAYJT-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.40
Rot. Bonds

About ethane;3-methylcyclopentan-1-one

ethane;3-methylcyclopentan-1-one (PubChem CID 142926670) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is ethane;3-methylcyclopentan-1-one.

Molecular Properties

Compound Nameethane;3-methylcyclopentan-1-one
PubChem CID142926670
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameethane;3-methylcyclopentan-1-one
SMILESCC.CC1CCC(=O)C1
InChIInChI=1S/C6H10O.C2H6/c1-5-2-3-6(7)4-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyAZODGUAKFSAYJT-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11708054
3-methylcycloheptan-1-one
CID 534955
3-methylcyclooctan-1-one
CID 12892221
3,4-dimethylcyclohexan-1-one;ethane
CID 142187716
4,6-dimethylcyclooctan-1-one
CID 130038288
cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
CID 158392775
3-methylcyclopentadecane-1,5-dione
CID 11184330
3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
CID 69228186
2,2-dimethylbutane;3-methylcyclohexan-1-one
CID 144733405
(4S)-3,3-dideuterio-4-methylcyclohexan-1-one
CID 137332365
(3R)-3-methylcyclopentadec-6-en-1-one
CID 71167606
6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 67967191

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylcyclopentan-1-one?
The IUPAC name of ethane;3-methylcyclopentan-1-one (CID 142926670) is ethane;3-methylcyclopentan-1-one.
What is the SMILES notation for ethane;3-methylcyclopentan-1-one?
The canonical SMILES for ethane;3-methylcyclopentan-1-one is CC.CC1CCC(=O)C1.
What is the InChIKey of ethane;3-methylcyclopentan-1-one?
The InChIKey is AZODGUAKFSAYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H6/c1-5-2-3-6(7)4-5;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methylcyclopentan-1-one?
ethane;3-methylcyclopentan-1-one has a molecular weight of 128.21 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylcyclopentan-1-one is sourced from PubChem (CID 142926670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).