1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane

C15H26 — CID 123892560

IUPAC1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane
SMILESCCCC=C(CC)CCC(C)C12CC1C2
InChIInChI=1S/C15H26/c1-4-6-7-13(5-2)9-8-12(3)15-10-14(15)11-15/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyZKYGXHYKJNAOGY-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.95
Rot. Bonds7

About 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane

1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane (PubChem CID 123892560) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane
PubChem CID123892560
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane
SMILESCCCC=C(CC)CCC(C)C12CC1C2
InChIInChI=1S/C15H26/c1-4-6-7-13(5-2)9-8-12(3)15-10-14(15)11-15/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyZKYGXHYKJNAOGY-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.95
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

(E)-5-ethyldec-4-ene
CID 173194379
5-ethyldodec-4-ene
CID 123814834
5-ethylnona-1,5-diene
CID 54516473
6-ethyl-2-methyldec-5-ene
CID 123276587
1-pentan-2-ylbicyclo[3.1.0]hexane
CID 147905312
3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane
CID 123162536
(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene
CID 11515038
(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
CID 23553717
(Z)-6-ethylundec-5-ene
CID 102395453
6-ethyl-10-methylundeca-1,5-diene
CID 58970902
6-ethyltridec-6-ene
CID 123238287
5-ethyltetradec-5-ene
CID 54129215

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane?
The IUPAC name of 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane (CID 123892560) is 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane.
What is the SMILES notation for 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane?
The canonical SMILES for 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane is CCCC=C(CC)CCC(C)C12CC1C2.
What is the InChIKey of 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane?
The InChIKey is ZKYGXHYKJNAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-4-6-7-13(5-2)9-8-12(3)15-10-14(15)11-15/h7,12,14H,4-6,8-11H2,1-3H3.
What are the key properties of 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane?
1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane has a molecular weight of 206.37 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123892560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).