4-(1-propylcyclohexyl)cyclohexene

C15H26 — CID 174517858

IUPAC4-(1-propylcyclohexyl)cyclohexene
SMILESCCCC1(C2CC=CCC2)CCCCC1
InChIInChI=1S/C15H26/c1-2-11-15(12-7-4-8-13-15)14-9-5-3-6-10-14/h3,5,14H,2,4,6-13H2,1H3
InChIKeyBCPMTCMOPMREDM-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.09
Rot. Bonds3

About 4-(1-propylcyclohexyl)cyclohexene

4-(1-propylcyclohexyl)cyclohexene (PubChem CID 174517858) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 4-(1-propylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name4-(1-propylcyclohexyl)cyclohexene
PubChem CID174517858
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name4-(1-propylcyclohexyl)cyclohexene
SMILESCCCC1(C2CC=CCC2)CCCCC1
InChIInChI=1S/C15H26/c1-2-11-15(12-7-4-8-13-15)14-9-5-3-6-10-14/h3,5,14H,2,4,6-13H2,1H3
InChIKeyBCPMTCMOPMREDM-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propylcyclohexyl)cyclohexene?
The IUPAC name of 4-(1-propylcyclohexyl)cyclohexene (CID 174517858) is 4-(1-propylcyclohexyl)cyclohexene.
What is the SMILES notation for 4-(1-propylcyclohexyl)cyclohexene?
The canonical SMILES for 4-(1-propylcyclohexyl)cyclohexene is CCCC1(C2CC=CCC2)CCCCC1.
What is the InChIKey of 4-(1-propylcyclohexyl)cyclohexene?
The InChIKey is BCPMTCMOPMREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-2-11-15(12-7-4-8-13-15)14-9-5-3-6-10-14/h3,5,14H,2,4,6-13H2,1H3.
What are the key properties of 4-(1-propylcyclohexyl)cyclohexene?
4-(1-propylcyclohexyl)cyclohexene has a molecular weight of 206.37 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylcyclohexyl)cyclohexene is sourced from PubChem (CID 174517858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).