1-ethyl-4-(4-propylcyclohexyl)cyclohexane

C17H32 — CID 19850402

IUPAC1-ethyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H32/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h14-17H,3-13H2,1-2H3
InChIKeyKORMYSCDCHFFMN-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.81
Rot. Bonds4

About 1-ethyl-4-(4-propylcyclohexyl)cyclohexane

1-ethyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 19850402) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-ethyl-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(4-propylcyclohexyl)cyclohexane
PubChem CID19850402
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-ethyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H32/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h14-17H,3-13H2,1-2H3
InChIKeyKORMYSCDCHFFMN-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethyl-4-(4-propylcyclohexyl)cyclohexane (CID 19850402) is 1-ethyl-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is KORMYSCDCHFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-propylcyclohexyl)cyclohexane?
1-ethyl-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 19850402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).