1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane

C13H26 — CID 123245252

IUPAC1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane
SMILESCCC(CC)CC1CC(CC)C1C
InChIInChI=1S/C13H26/c1-5-11(6-2)8-13-9-12(7-3)10(13)4/h10-13H,5-9H2,1-4H3
InChIKeyCYBVFLAMDRGLNU-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds5

About 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane

1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane (PubChem CID 123245252) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane
PubChem CID123245252
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane
SMILESCCC(CC)CC1CC(CC)C1C
InChIInChI=1S/C13H26/c1-5-11(6-2)8-13-9-12(7-3)10(13)4/h10-13H,5-9H2,1-4H3
InChIKeyCYBVFLAMDRGLNU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-(2-ethylbutyl)-4-methylcyclohexane
CID 82930326
1,3-diethyl-2-methylcyclopentane
CID 123589151
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
4-ethyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82929938
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244
2-(2-ethylbutyl)cyclopentan-1-amine
CID 82929717
5-ethyl-2,3,4-trimethylcyclohexan-1-amine
CID 144529983
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
CID 82934632
1-bromo-2-(2-ethylbutyl)cyclopentane
CID 82929575

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane?
The IUPAC name of 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane (CID 123245252) is 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane.
What is the SMILES notation for 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane?
The canonical SMILES for 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane is CCC(CC)CC1CC(CC)C1C.
What is the InChIKey of 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane?
The InChIKey is CYBVFLAMDRGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-11(6-2)8-13-9-12(7-3)10(13)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane?
1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 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-ethylbutyl)-2-methylcyclobutane is sourced from PubChem (CID 123245252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).