6-ethenyl-4-ethylcyclooctene

C12H20 — CID 123640243

IUPAC6-ethenyl-4-ethylcyclooctene
SMILESC=CC1CCC=CCC(CC)C1
InChIInChI=1S/C12H20/c1-3-11-8-6-5-7-9-12(4-2)10-11/h3,5,7,11-12H,1,4,6,8-10H2,2H3
InChIKeyTVSWAEBJWRXPCQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds2

About 6-ethenyl-4-ethylcyclooctene

6-ethenyl-4-ethylcyclooctene (PubChem CID 123640243) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 6-ethenyl-4-ethylcyclooctene.

Molecular Properties

Compound Name6-ethenyl-4-ethylcyclooctene
PubChem CID123640243
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name6-ethenyl-4-ethylcyclooctene
SMILESC=CC1CCC=CCC(CC)C1
InChIInChI=1S/C12H20/c1-3-11-8-6-5-7-9-12(4-2)10-11/h3,5,7,11-12H,1,4,6,8-10H2,2H3
InChIKeyTVSWAEBJWRXPCQ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
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

4-ethenylcyclohexene;hexa-1,5-diene
CID 18984285
4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)
CID 162256145
4-[(E)-but-1-enyl]cyclohexene
CID 21245549
1-cyclohex-3-en-1-ylpent-4-en-2-one
CID 12734511
4-[(E)-pent-2-enyl]cyclohexene
CID 91748880
(1E)-4-ethylcyclononene
CID 173294851
1-ethenyl-3-ethyl-5-methylcyclohexane
CID 144552872
4-propylcyclohexene
CID 518777
buta-1,3-diene;4-(cyclohex-3-en-1-ylmethyl)cyclohexene;4-prop-2-enylcyclohexene
CID 165057381
1-cyclohex-3-en-1-ylbut-3-en-2-one
CID 130029424
4-[(E)-pent-1-enyl]cyclohexene
CID 127260693
2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
CID 23066946

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-ethylcyclooctene?
The IUPAC name of 6-ethenyl-4-ethylcyclooctene (CID 123640243) is 6-ethenyl-4-ethylcyclooctene.
What is the SMILES notation for 6-ethenyl-4-ethylcyclooctene?
The canonical SMILES for 6-ethenyl-4-ethylcyclooctene is C=CC1CCC=CCC(CC)C1.
What is the InChIKey of 6-ethenyl-4-ethylcyclooctene?
The InChIKey is TVSWAEBJWRXPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-11-8-6-5-7-9-12(4-2)10-11/h3,5,7,11-12H,1,4,6,8-10H2,2H3.
What are the key properties of 6-ethenyl-4-ethylcyclooctene?
6-ethenyl-4-ethylcyclooctene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-ethylcyclooctene is sourced from PubChem (CID 123640243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).