2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane

C18H30 — CID 165003699

IUPAC2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
SMILESCCC1CCC1C1CCC(C2CCC2)C2CCC12
InChIInChI=1S/C18H30/c1-2-12-6-7-14(12)16-9-8-15(13-4-3-5-13)17-10-11-18(16)17/h12-18H,2-11H2,1H3
InChIKeyIQGRHLWLMNYARR-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.28
Rot. Bonds3

About 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane

2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane (PubChem CID 165003699) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane.

Molecular Properties

Compound Name2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
PubChem CID165003699
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
SMILESCCC1CCC1C1CCC(C2CCC2)C2CCC12
InChIInChI=1S/C18H30/c1-2-12-6-7-14(12)16-9-8-15(13-4-3-5-13)17-10-11-18(16)17/h12-18H,2-11H2,1H3
InChIKeyIQGRHLWLMNYARR-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-2-ethylcyclobutane
CID 123211451
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
1-ethyl-2-(2-ethylcyclopropyl)cyclobutane
CID 123502965
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 142245917
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 164599276
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane
CID 91585358

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane?
The IUPAC name of 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane (CID 165003699) is 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane.
What is the SMILES notation for 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane?
The canonical SMILES for 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane is CCC1CCC1C1CCC(C2CCC2)C2CCC12.
What is the InChIKey of 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane?
The InChIKey is IQGRHLWLMNYARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-2-12-6-7-14(12)16-9-8-15(13-4-3-5-13)17-10-11-18(16)17/h12-18H,2-11H2,1H3.
What are the key properties of 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane?
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane has a molecular weight of 246.44 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane is sourced from PubChem (CID 165003699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).