1-ethyl-2-propylcyclohexane

C11H22 — CID 549960

IUPAC1-ethyl-2-propylcyclohexane
SMILESCCCC1CCCCC1CC
InChIInChI=1S/C11H22/c1-3-7-11-9-6-5-8-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyNNNKGLVDUYFBHS-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds3

About 1-ethyl-2-propylcyclohexane

1-ethyl-2-propylcyclohexane (PubChem CID 549960) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-ethyl-2-propylcyclohexane.

Molecular Properties

Compound Name1-ethyl-2-propylcyclohexane
PubChem CID549960
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-ethyl-2-propylcyclohexane
SMILESCCCC1CCCCC1CC
InChIInChI=1S/C11H22/c1-3-7-11-9-6-5-8-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyNNNKGLVDUYFBHS-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propylcyclohexane?
The IUPAC name of 1-ethyl-2-propylcyclohexane (CID 549960) is 1-ethyl-2-propylcyclohexane.
What is the SMILES notation for 1-ethyl-2-propylcyclohexane?
The canonical SMILES for 1-ethyl-2-propylcyclohexane is CCCC1CCCCC1CC.
What is the InChIKey of 1-ethyl-2-propylcyclohexane?
The InChIKey is NNNKGLVDUYFBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-3-7-11-9-6-5-8-10(11)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-2-propylcyclohexane?
1-ethyl-2-propylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propylcyclohexane is sourced from PubChem (CID 549960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).