5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane

C19H32 — CID 91174864

IUPAC5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane
SMILESC=CCC(CC)CC1(C2CCC2CCC)C2CCC21
InChIInChI=1S/C19H32/c1-4-7-14(6-3)13-19(17-11-12-18(17)19)16-10-9-15(16)8-5-2/h4,14-18H,1,5-13H2,2-3H3
InChIKeySQEUIGQIWMCSGV-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.83
Rot. Bonds8

About 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane

5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane (PubChem CID 91174864) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane
PubChem CID91174864
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane
SMILESC=CCC(CC)CC1(C2CCC2CCC)C2CCC21
InChIInChI=1S/C19H32/c1-4-7-14(6-3)13-19(17-11-12-18(17)19)16-10-9-15(16)8-5-2/h4,14-18H,1,5-13H2,2-3H3
InChIKeySQEUIGQIWMCSGV-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.83
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 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane?
The IUPAC name of 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane (CID 91174864) is 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane is C=CCC(CC)CC1(C2CCC2CCC)C2CCC21.
What is the InChIKey of 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane?
The InChIKey is SQEUIGQIWMCSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-4-7-14(6-3)13-19(17-11-12-18(17)19)16-10-9-15(16)8-5-2/h4,14-18H,1,5-13H2,2-3H3.
What are the key properties of 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane?
5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane has a molecular weight of 260.46 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 91174864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).