1-ethyl-3-methylcyclopentane

C8H16 — CID 19502

IUPAC1-ethyl-3-methylcyclopentane
SMILESCCC1CCC(C)C1
InChIInChI=1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyPQXAPVOKLYINEI-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds1

About 1-ethyl-3-methylcyclopentane

1-ethyl-3-methylcyclopentane (PubChem CID 19502) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1-ethyl-3-methylcyclopentane.

Molecular Properties

Compound Name1-ethyl-3-methylcyclopentane
PubChem CID19502
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1-ethyl-3-methylcyclopentane
SMILESCCC1CCC(C)C1
InChIInChI=1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyPQXAPVOKLYINEI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylcyclopentane?
The IUPAC name of 1-ethyl-3-methylcyclopentane (CID 19502) is 1-ethyl-3-methylcyclopentane.
What is the SMILES notation for 1-ethyl-3-methylcyclopentane?
The canonical SMILES for 1-ethyl-3-methylcyclopentane is CCC1CCC(C)C1.
What is the InChIKey of 1-ethyl-3-methylcyclopentane?
The InChIKey is PQXAPVOKLYINEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methylcyclopentane?
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 1-ethyl-3-methylcyclopentane is sourced from PubChem (CID 19502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).