trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane

C11H22 — CID 163416827

IUPACtrans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
SMILESCC[C@]1(C)C[C@H](C)C(C)(C)C1
InChIInChI=1S/C11H22/c1-6-11(5)7-9(2)10(3,4)8-11/h9H,6-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyAFCQQVCOCXDLPY-GXSJLCMTSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds1

About trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane

trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane (PubChem CID 163416827) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane.

Molecular Properties

Compound Nametrans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
PubChem CID163416827
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nametrans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
SMILESCC[C@]1(C)C[C@H](C)C(C)(C)C1
InChIInChI=1S/C11H22/c1-6-11(5)7-9(2)10(3,4)8-11/h9H,6-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyAFCQQVCOCXDLPY-GXSJLCMTSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane
CID 91011571
3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 22221546
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
1,3-diethyl-1-methylcyclobutane
CID 21053928
3-ethyl-3-methylcyclobutan-1-amine
CID 121388624
1-ethyl-1-methyl-3-(2-methylcyclopropyl)cyclobutane
CID 123695145

Frequently Asked Questions

What is the IUPAC name of trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane?
The IUPAC name of trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane (CID 163416827) is trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane.
What is the SMILES notation for trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane?
The canonical SMILES for trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane is CC[C@]1(C)C[C@H](C)C(C)(C)C1.
What is the InChIKey of trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane?
The InChIKey is AFCQQVCOCXDLPY-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H22/c1-6-11(5)7-9(2)10(3,4)8-11/h9H,6-8H2,1-5H3/t9-,11+/m0/s1.
What are the key properties of trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane?
trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane is sourced from PubChem (CID 163416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).