1-(cyclohexylmethyl)-6-propylcyclohexene

C16H28 — CID 173009596

IUPAC1-(cyclohexylmethyl)-6-propylcyclohexene
SMILESCCCC1CCCC=C1CC1CCCCC1
InChIInChI=1S/C16H28/c1-2-8-15-11-6-7-12-16(15)13-14-9-4-3-5-10-14/h12,14-15H,2-11,13H2,1H3
InChIKeyAUXLJOZOMSYOCG-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.48
Rot. Bonds4

About 1-(cyclohexylmethyl)-6-propylcyclohexene

1-(cyclohexylmethyl)-6-propylcyclohexene (PubChem CID 173009596) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-propylcyclohexene.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-propylcyclohexene
PubChem CID173009596
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-(cyclohexylmethyl)-6-propylcyclohexene
SMILESCCCC1CCCC=C1CC1CCCCC1
InChIInChI=1S/C16H28/c1-2-8-15-11-6-7-12-16(15)13-14-9-4-3-5-10-14/h12,14-15H,2-11,13H2,1H3
InChIKeyAUXLJOZOMSYOCG-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.48
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 1-(cyclohexylmethyl)-6-propylcyclohexene?
The IUPAC name of 1-(cyclohexylmethyl)-6-propylcyclohexene (CID 173009596) is 1-(cyclohexylmethyl)-6-propylcyclohexene.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-propylcyclohexene?
The canonical SMILES for 1-(cyclohexylmethyl)-6-propylcyclohexene is CCCC1CCCC=C1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-propylcyclohexene?
The InChIKey is AUXLJOZOMSYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-2-8-15-11-6-7-12-16(15)13-14-9-4-3-5-10-14/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-6-propylcyclohexene?
1-(cyclohexylmethyl)-6-propylcyclohexene has a molecular weight of 220.40 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-propylcyclohexene is sourced from PubChem (CID 173009596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).