1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene

C16H26 — CID 59765969

IUPAC1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene
SMILESCCC1=CCCC(C2CCC=C(CC)C2)C1
InChIInChI=1S/C16H26/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h7-8,15-16H,3-6,9-12H2,1-2H3
InChIKeyKIVOUVJPMPGYAJ-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds3

About 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene

1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene (PubChem CID 59765969) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene.

Molecular Properties

Compound Name1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene
PubChem CID59765969
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene
SMILESCCC1=CCCC(C2CCC=C(CC)C2)C1
InChIInChI=1S/C16H26/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h7-8,15-16H,3-6,9-12H2,1-2H3
InChIKeyKIVOUVJPMPGYAJ-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
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

5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene
CID 143250465
1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 160530479
4-ethylcyclohept-4-en-1-ol
CID 91248239
5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 118055412
6-ethenyl-1-ethylcycloheptene
CID 141316473
ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 143264165
2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine
CID 146557976
(1R,5S)-3-ethylbicyclo[3.2.0]hept-3-en-6-one
CID 71582576
N-(4-ethylcyclohept-4-en-1-yl)-1-iodoazetidin-3-amine
CID 166981447
[3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
CID 10197745
5-(chloromethyl)-1-methylcyclohexene
CID 152729748
2-ethyl-N-methylcyclopent-2-en-1-amine
CID 123512863

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene?
The IUPAC name of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene (CID 59765969) is 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene.
What is the SMILES notation for 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene?
The canonical SMILES for 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene is CCC1=CCCC(C2CCC=C(CC)C2)C1.
What is the InChIKey of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene?
The InChIKey is KIVOUVJPMPGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h7-8,15-16H,3-6,9-12H2,1-2H3.
What are the key properties of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene?
1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene has a molecular weight of 218.38 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene is sourced from PubChem (CID 59765969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).