3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene

C18H26 — CID 22347909

IUPAC3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
SMILESCCC1=CCC(CCC2=C(C)C(CC)=CC2)=C1C
InChIInChI=1S/C18H26/c1-5-15-7-9-17(13(15)3)11-12-18-10-8-16(6-2)14(18)4/h7-8H,5-6,9-12H2,1-4H3
InChIKeyDMOLQVDDEIOWHO-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.88
Rot. Bonds5

About 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene

3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene (PubChem CID 22347909) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
PubChem CID22347909
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
SMILESCCC1=CCC(CCC2=C(C)C(CC)=CC2)=C1C
InChIInChI=1S/C18H26/c1-5-15-7-9-17(13(15)3)11-12-18-10-8-16(6-2)14(18)4/h7-8H,5-6,9-12H2,1-4H3
InChIKeyDMOLQVDDEIOWHO-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene with MolForge

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Related Compounds

1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene
CID 21105891
(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene
CID 159279644
1,2,4,5-tetraethylcyclohepta-1,3,5-triene
CID 153389837
(3-ethyl-2-methyl-7-propylcyclohepta-1,3,6-trien-1-yl)phosphane
CID 166651426
1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
CID 139667512
bis(2-ethyl-3-methylcyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 87674700
4-ethyl-2H-naphthalen-1-one
CID 89331338
ethane;3-ethyl-6-methyl-1H-indene;methanol
CID 91275305
bis(1-ethyl-2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 173020247
2,3-diethyl-5-methylcyclohepta-1,3,5-triene
CID 142887028
3-bromo-1,2-diethylcyclopenta-1,3-diene
CID 173084452
dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride
CID 87101317

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene?
The IUPAC name of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene (CID 22347909) is 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene?
The canonical SMILES for 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene is CCC1=CCC(CCC2=C(C)C(CC)=CC2)=C1C.
What is the InChIKey of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene?
The InChIKey is DMOLQVDDEIOWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-5-15-7-9-17(13(15)3)11-12-18-10-8-16(6-2)14(18)4/h7-8H,5-6,9-12H2,1-4H3.
What are the key properties of 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene?
3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene has a molecular weight of 242.41 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 22347909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).