1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene

C16H22 — CID 101122210

IUPAC1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene
SMILESC1=C(C2=CCC2=C2CCCCC2)CCCC1
InChIInChI=1S/C16H22/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h7,11H,1-6,8-10,12H2
InChIKeyUWXGGZNEZJLLAJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.08
Rot. Bonds1

About 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene

1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene (PubChem CID 101122210) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene.

Molecular Properties

Compound Name1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene
PubChem CID101122210
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene
SMILESC1=C(C2=CCC2=C2CCCCC2)CCCC1
InChIInChI=1S/C16H22/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h7,11H,1-6,8-10,12H2
InChIKeyUWXGGZNEZJLLAJ-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene?
The IUPAC name of 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene (CID 101122210) is 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene.
What is the SMILES notation for 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene?
The canonical SMILES for 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene is C1=C(C2=CCC2=C2CCCCC2)CCCC1.
What is the InChIKey of 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene?
The InChIKey is UWXGGZNEZJLLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h7,11H,1-6,8-10,12H2.
What are the key properties of 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene?
1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene has a molecular weight of 214.35 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylidenecyclobuten-1-yl)cyclohexene is sourced from PubChem (CID 101122210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).