ethylcyclohexane

C8H16 — CID 15504

IUPACethylcyclohexane
SMILESCCC1CCCCC1
InChIInChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyIIEWJVIFRVWJOD-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.98
Rot. Bonds1

About ethylcyclohexane

ethylcyclohexane (PubChem CID 15504) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is ethylcyclohexane.

Molecular Properties

Compound Nameethylcyclohexane
PubChem CID15504
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nameethylcyclohexane
SMILESCCC1CCCCC1
InChIInChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyIIEWJVIFRVWJOD-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane?
The IUPAC name of ethylcyclohexane (CID 15504) is ethylcyclohexane.
What is the SMILES notation for ethylcyclohexane?
The canonical SMILES for ethylcyclohexane is CCC1CCCCC1.
What is the InChIKey of ethylcyclohexane?
The InChIKey is IIEWJVIFRVWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of ethylcyclohexane?
ethylcyclohexane has a molecular weight of 112.22 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane is sourced from PubChem (CID 15504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).