trans-(1R,3R)-1-ethyl-3-methylcyclopentane

C8H16 — CID 6432281

IUPACtrans-(1R,3R)-1-ethyl-3-methylcyclopentane
SMILESCC[C@@H]1CC[C@@H](C)C1
InChIInChI=1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPQXAPVOKLYINEI-HTQZYQBOSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds1

About trans-(1R,3R)-1-ethyl-3-methylcyclopentane

trans-(1R,3R)-1-ethyl-3-methylcyclopentane (PubChem CID 6432281) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is trans-(1R,3R)-1-ethyl-3-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-ethyl-3-methylcyclopentane
PubChem CID6432281
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nametrans-(1R,3R)-1-ethyl-3-methylcyclopentane
SMILESCC[C@@H]1CC[C@@H](C)C1
InChIInChI=1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPQXAPVOKLYINEI-HTQZYQBOSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-methylcyclopentane;methane
CID 144878558
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1,3-diethylcyclopentane
CID 530396
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
The IUPAC name of trans-(1R,3R)-1-ethyl-3-methylcyclopentane (CID 6432281) is trans-(1R,3R)-1-ethyl-3-methylcyclopentane.
What is the SMILES notation for trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
The canonical SMILES for trans-(1R,3R)-1-ethyl-3-methylcyclopentane is CC[C@@H]1CC[C@@H](C)C1.
What is the InChIKey of trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
The InChIKey is PQXAPVOKLYINEI-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
trans-(1R,3R)-1-ethyl-3-methylcyclopentane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-ethyl-3-methylcyclopentane is sourced from PubChem (CID 6432281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).