1-ethyl-4-propan-2-ylcyclohexane

C11H22 — CID 22112143

IUPAC1-ethyl-4-propan-2-ylcyclohexane
SMILESCCC1CCC(C(C)C)CC1
InChIInChI=1S/C11H22/c1-4-10-5-7-11(8-6-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQWLVMLNROVBUHH-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds2

About 1-ethyl-4-propan-2-ylcyclohexane

1-ethyl-4-propan-2-ylcyclohexane (PubChem CID 22112143) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylcyclohexane
PubChem CID22112143
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-ethyl-4-propan-2-ylcyclohexane
SMILESCCC1CCC(C(C)C)CC1
InChIInChI=1S/C11H22/c1-4-10-5-7-11(8-6-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQWLVMLNROVBUHH-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-ethyl-4-propan-2-ylcyclohexane (CID 22112143) is 1-ethyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-ethyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-ethyl-4-propan-2-ylcyclohexane is CCC1CCC(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylcyclohexane?
The InChIKey is QWLVMLNROVBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-10-5-7-11(8-6-10)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-ylcyclohexane?
1-ethyl-4-propan-2-ylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 22112143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).