2-ethyl-3,3,4-trimethylcyclopentan-1-one

C10H18O — CID 14218824

IUPAC2-ethyl-3,3,4-trimethylcyclopentan-1-one
SMILESCCC1C(=O)CC(C)C1(C)C
InChIInChI=1S/C10H18O/c1-5-8-9(11)6-7(2)10(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyFNMXSHGGGINGPA-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds1

About 2-ethyl-3,3,4-trimethylcyclopentan-1-one

2-ethyl-3,3,4-trimethylcyclopentan-1-one (PubChem CID 14218824) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethyl-3,3,4-trimethylcyclopentan-1-one.

Molecular Properties

Compound Name2-ethyl-3,3,4-trimethylcyclopentan-1-one
PubChem CID14218824
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethyl-3,3,4-trimethylcyclopentan-1-one
SMILESCCC1C(=O)CC(C)C1(C)C
InChIInChI=1S/C10H18O/c1-5-8-9(11)6-7(2)10(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyFNMXSHGGGINGPA-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-ethyl-3,3-dimethylcyclobutan-1-one
CID 21431849
cis-(2S,5S)-5-ethyl-2,4,4-trimethylcyclohexan-1-one
CID 131107477
4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one
CID 121011477
2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one
CID 143462146
2-[(1S,3R)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90658047
2-[(1S,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90659158
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
ethene;2-ethyl-1,1,5-trimethylcyclopentane
CID 142858344
(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
CID 130612042
4-ethyl-3,3-dimethylpyrrolidine-2,5-dione
CID 523535
2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
(3S,4S,5S,8R,9S,10R,13S,14S,17R)-17-ethyl-3,4-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
CID 162961569

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3,4-trimethylcyclopentan-1-one?
The IUPAC name of 2-ethyl-3,3,4-trimethylcyclopentan-1-one (CID 14218824) is 2-ethyl-3,3,4-trimethylcyclopentan-1-one.
What is the SMILES notation for 2-ethyl-3,3,4-trimethylcyclopentan-1-one?
The canonical SMILES for 2-ethyl-3,3,4-trimethylcyclopentan-1-one is CCC1C(=O)CC(C)C1(C)C.
What is the InChIKey of 2-ethyl-3,3,4-trimethylcyclopentan-1-one?
The InChIKey is FNMXSHGGGINGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8-9(11)6-7(2)10(8,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3,3,4-trimethylcyclopentan-1-one?
2-ethyl-3,3,4-trimethylcyclopentan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3,4-trimethylcyclopentan-1-one is sourced from PubChem (CID 14218824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).