1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane

C13H26 — CID 91456729

IUPAC1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane
SMILESCCC(CC1CC(C)C1C)C(C)C
InChIInChI=1S/C13H26/c1-6-12(9(2)3)8-13-7-10(4)11(13)5/h9-13H,6-8H2,1-5H3
InChIKeyCHOQDEBYVQKBSK-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane

1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane (PubChem CID 91456729) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane
PubChem CID91456729
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane
SMILESCCC(CC1CC(C)C1C)C(C)C
InChIInChI=1S/C13H26/c1-6-12(9(2)3)8-13-7-10(4)11(13)5/h9-13H,6-8H2,1-5H3
InChIKeyCHOQDEBYVQKBSK-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-(2-methylheptyl)cyclobutane
CID 123911286
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane
CID 123187249
3-(2-ethyl-3-methylbutyl)oxetane
CID 67965030
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
1-(3-ethylpentan-2-yl)-2-methylcyclopropane
CID 91445578
1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
CID 90801138
1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane
CID 123891563
1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane
CID 123443774
1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane
CID 91534762
1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
1-methyl-2-pentyl-3-(2,11,12,14-tetraethyl-3,6,7,15-tetramethylhexadecyl)cyclobutane
CID 123658448

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane?
The IUPAC name of 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane (CID 91456729) is 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane.
What is the SMILES notation for 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane?
The canonical SMILES for 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane is CCC(CC1CC(C)C1C)C(C)C.
What is the InChIKey of 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane?
The InChIKey is CHOQDEBYVQKBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-12(9(2)3)8-13-7-10(4)11(13)5/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane?
1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane is sourced from PubChem (CID 91456729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).