2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene

C18H28 — CID 123744931

IUPAC2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene
SMILESCCCC1C2CCC12CCC1C2=C(CC)C(C)C21
InChIInChI=1S/C18H28/c1-4-6-14-15-8-10-18(14,15)9-7-13-16-11(3)12(5-2)17(13)16/h11,13-16H,4-10H2,1-3H3
InChIKeyGJMYRADMBOVEQJ-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.20
Rot. Bonds6

About 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene

2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene (PubChem CID 123744931) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene.

Molecular Properties

Compound Name2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene
PubChem CID123744931
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene
SMILESCCCC1C2CCC12CCC1C2=C(CC)C(C)C21
InChIInChI=1S/C18H28/c1-4-6-14-15-8-10-18(14,15)9-7-13-16-11(3)12(5-2)17(13)16/h11,13-16H,4-10H2,1-3H3
InChIKeyGJMYRADMBOVEQJ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene?
The IUPAC name of 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene (CID 123744931) is 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene.
What is the SMILES notation for 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene?
The canonical SMILES for 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene is CCCC1C2CCC12CCC1C2=C(CC)C(C)C21.
What is the InChIKey of 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene?
The InChIKey is GJMYRADMBOVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-4-6-14-15-8-10-18(14,15)9-7-13-16-11(3)12(5-2)17(13)16/h11,13-16H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene?
2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene has a molecular weight of 244.42 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-5-[2-(5-propyl-1-bicyclo[2.1.0]pentanyl)ethyl]bicyclo[2.1.0]pent-1-ene is sourced from PubChem (CID 123744931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).