1,3-diethyl-1,2,2-trimethylcyclopentane

C12H24 — CID 123762745

IUPAC1,3-diethyl-1,2,2-trimethylcyclopentane
SMILESCCC1CCC(C)(CC)C1(C)C
InChIInChI=1S/C12H24/c1-6-10-8-9-12(5,7-2)11(10,3)4/h10H,6-9H2,1-5H3
InChIKeyNKOGGBLRRKYNDB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds2

About 1,3-diethyl-1,2,2-trimethylcyclopentane

1,3-diethyl-1,2,2-trimethylcyclopentane (PubChem CID 123762745) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,3-diethyl-1,2,2-trimethylcyclopentane.

Molecular Properties

Compound Name1,3-diethyl-1,2,2-trimethylcyclopentane
PubChem CID123762745
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,3-diethyl-1,2,2-trimethylcyclopentane
SMILESCCC1CCC(C)(CC)C1(C)C
InChIInChI=1S/C12H24/c1-6-10-8-9-12(5,7-2)11(10,3)4/h10H,6-9H2,1-5H3
InChIKeyNKOGGBLRRKYNDB-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
CID 173483395
CID 173483395
3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
CID 95004190
6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one
CID 59054932
7-ethyl-2-oxaspiro[3.3]heptane
CID 162428852
2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
CID 123379170
2,5-diethyl-1,1-difluorocyclopentane
CID 20771103
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
2,4-diethyl-1,1-dimethylcyclohexane
CID 143295937
1,1-dibutyl-2-ethylcyclobutane
CID 123938978
[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
CID 20578019
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,2,2-trimethylcyclopentane?
The IUPAC name of 1,3-diethyl-1,2,2-trimethylcyclopentane (CID 123762745) is 1,3-diethyl-1,2,2-trimethylcyclopentane.
What is the SMILES notation for 1,3-diethyl-1,2,2-trimethylcyclopentane?
The canonical SMILES for 1,3-diethyl-1,2,2-trimethylcyclopentane is CCC1CCC(C)(CC)C1(C)C.
What is the InChIKey of 1,3-diethyl-1,2,2-trimethylcyclopentane?
The InChIKey is NKOGGBLRRKYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-10-8-9-12(5,7-2)11(10,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 1,3-diethyl-1,2,2-trimethylcyclopentane?
1,3-diethyl-1,2,2-trimethylcyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,2,2-trimethylcyclopentane is sourced from PubChem (CID 123762745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).