4-cyclohexylbuta-1,2-dienylcyclohexane

C16H26 — CID 58339602

IUPAC4-cyclohexylbuta-1,2-dienylcyclohexane
SMILESC(=CCC1CCCCC1)=CC1CCCCC1
InChIInChI=1S/C16H26/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7,14-16H,1-6,9-13H2
InChIKeyFIYNIJUZWVTQDY-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.25
Rot. Bonds3

About 4-cyclohexylbuta-1,2-dienylcyclohexane

4-cyclohexylbuta-1,2-dienylcyclohexane (PubChem CID 58339602) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 4-cyclohexylbuta-1,2-dienylcyclohexane.

Molecular Properties

Compound Name4-cyclohexylbuta-1,2-dienylcyclohexane
PubChem CID58339602
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name4-cyclohexylbuta-1,2-dienylcyclohexane
SMILESC(=CCC1CCCCC1)=CC1CCCCC1
InChIInChI=1S/C16H26/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7,14-16H,1-6,9-13H2
InChIKeyFIYNIJUZWVTQDY-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbuta-1,2-dienylcyclohexane?
The IUPAC name of 4-cyclohexylbuta-1,2-dienylcyclohexane (CID 58339602) is 4-cyclohexylbuta-1,2-dienylcyclohexane.
What is the SMILES notation for 4-cyclohexylbuta-1,2-dienylcyclohexane?
The canonical SMILES for 4-cyclohexylbuta-1,2-dienylcyclohexane is C(=CCC1CCCCC1)=CC1CCCCC1.
What is the InChIKey of 4-cyclohexylbuta-1,2-dienylcyclohexane?
The InChIKey is FIYNIJUZWVTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7,14-16H,1-6,9-13H2.
What are the key properties of 4-cyclohexylbuta-1,2-dienylcyclohexane?
4-cyclohexylbuta-1,2-dienylcyclohexane has a molecular weight of 218.38 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbuta-1,2-dienylcyclohexane is sourced from PubChem (CID 58339602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).