1-(2-cyclobutylethyl)-3-ethylcyclobutane

C12H22 — CID 123886657

IUPAC1-(2-cyclobutylethyl)-3-ethylcyclobutane
SMILESCCC1CC(CCC2CCC2)C1
InChIInChI=1S/C12H22/c1-2-10-8-12(9-10)7-6-11-4-3-5-11/h10-12H,2-9H2,1H3
InChIKeyJQYPQRCNQZAQPK-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-cyclobutylethyl)-3-ethylcyclobutane

1-(2-cyclobutylethyl)-3-ethylcyclobutane (PubChem CID 123886657) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-(2-cyclobutylethyl)-3-ethylcyclobutane.

Molecular Properties

Compound Name1-(2-cyclobutylethyl)-3-ethylcyclobutane
PubChem CID123886657
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-(2-cyclobutylethyl)-3-ethylcyclobutane
SMILESCCC1CC(CCC2CCC2)C1
InChIInChI=1S/C12H22/c1-2-10-8-12(9-10)7-6-11-4-3-5-11/h10-12H,2-9H2,1H3
InChIKeyJQYPQRCNQZAQPK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-propylcyclohexane
CID 22129036
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
ethylcyclobutane;methanamine
CID 175532329
cyclopropane;ethylcyclobutane;propane
CID 142456817
1-(3-ethylcyclohexyl)pentan-3-amine
CID 64504617
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
1,3-diethylcyclobutane;methane;propane
CID 161327157
1,3-diethylcyclopentane
CID 530396
1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 64503603
1-(3-chloro-4,4-dimethylpentyl)-3-ethylcyclohexane
CID 64507103
ethane;ethene;ethylcyclobutane
CID 164586585
3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide
CID 171950992

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethyl)-3-ethylcyclobutane?
The IUPAC name of 1-(2-cyclobutylethyl)-3-ethylcyclobutane (CID 123886657) is 1-(2-cyclobutylethyl)-3-ethylcyclobutane.
What is the SMILES notation for 1-(2-cyclobutylethyl)-3-ethylcyclobutane?
The canonical SMILES for 1-(2-cyclobutylethyl)-3-ethylcyclobutane is CCC1CC(CCC2CCC2)C1.
What is the InChIKey of 1-(2-cyclobutylethyl)-3-ethylcyclobutane?
The InChIKey is JQYPQRCNQZAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-2-10-8-12(9-10)7-6-11-4-3-5-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-(2-cyclobutylethyl)-3-ethylcyclobutane?
1-(2-cyclobutylethyl)-3-ethylcyclobutane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethyl)-3-ethylcyclobutane is sourced from PubChem (CID 123886657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).