7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene

C14H20 — CID 589378

IUPAC7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
SMILESC1=C2CC(C3=CCCCC3)C2CCC1
InChIInChI=1S/C14H20/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)14/h6,8,13-14H,1-5,7,9-10H2
InChIKeyNPVYKYZPXWDAAW-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds1

About 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene

7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene (PubChem CID 589378) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene.

Molecular Properties

Compound Name7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
PubChem CID589378
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
SMILESC1=C2CC(C3=CCCCC3)C2CCC1
InChIInChI=1S/C14H20/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)14/h6,8,13-14H,1-5,7,9-10H2
InChIKeyNPVYKYZPXWDAAW-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
CID 12692992
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
8-phenylbicyclo[5.2.0]non-1-ene
CID 134982556
1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 78062967
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 101144558
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
CID 71527330
2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
CID 154721857
5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
CID 22020032
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069
(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
CID 12714337

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene?
The IUPAC name of 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene (CID 589378) is 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene.
What is the SMILES notation for 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene?
The canonical SMILES for 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene is C1=C2CC(C3=CCCCC3)C2CCC1.
What is the InChIKey of 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene?
The InChIKey is NPVYKYZPXWDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)14/h6,8,13-14H,1-5,7,9-10H2.
What are the key properties of 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene?
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene has a molecular weight of 188.31 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene is sourced from PubChem (CID 589378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).