2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane

C15H28 — CID 123156811

IUPAC2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane
SMILESCCCCCCCCC12CC1(C)C2CC
InChIInChI=1S/C15H28/c1-4-6-7-8-9-10-11-15-12-14(15,3)13(15)5-2/h13H,4-12H2,1-3H3
InChIKeyCQVWCXNUGLTGQI-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds8

About 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane

2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane (PubChem CID 123156811) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane
PubChem CID123156811
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane
SMILESCCCCCCCCC12CC1(C)C2CC
InChIInChI=1S/C15H28/c1-4-6-7-8-9-10-11-15-12-14(15,3)13(15)5-2/h13H,4-12H2,1-3H3
InChIKeyCQVWCXNUGLTGQI-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
1-decylcyclopropan-1-amine
CID 66023987
azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
CID 175468906
1-methyl-1-pentylcyclopropane
CID 524644
2-methyl-2-nonadecyloxirane
CID 87754306
1,1,2-tribromo-2-heptylcyclopropane
CID 10970857
2-hexadecyl-2-methyloxirane
CID 87444144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane (CID 123156811) is 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane is CCCCCCCCC12CC1(C)C2CC.
What is the InChIKey of 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane?
The InChIKey is CQVWCXNUGLTGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-6-7-8-9-10-11-15-12-14(15,3)13(15)5-2/h13H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane?
2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-octylbicyclo[1.1.0]butane is sourced from PubChem (CID 123156811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).