1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane

C13H24 — CID 123941761

IUPAC1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane
SMILESCCC(CC12CC1(CC)C2)C(C)C
InChIInChI=1S/C13H24/c1-5-11(10(3)4)7-13-8-12(13,6-2)9-13/h10-11H,5-9H2,1-4H3
InChIKeySBAIQATZNSADLR-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds5

About 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane

1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane (PubChem CID 123941761) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane
PubChem CID123941761
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane
SMILESCCC(CC12CC1(CC)C2)C(C)C
InChIInChI=1S/C13H24/c1-5-11(10(3)4)7-13-8-12(13,6-2)9-13/h10-11H,5-9H2,1-4H3
InChIKeySBAIQATZNSADLR-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane?
The IUPAC name of 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane (CID 123941761) is 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane?
The canonical SMILES for 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane is CCC(CC12CC1(CC)C2)C(C)C.
What is the InChIKey of 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane?
The InChIKey is SBAIQATZNSADLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-11(10(3)4)7-13-8-12(13,6-2)9-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane?
1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethyl-3-methylbutyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123941761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).