1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane

C12H24 — CID 90801138

IUPAC1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
SMILESCCC(C)CC1C(C)CC1CC
InChIInChI=1S/C12H24/c1-5-9(3)7-12-10(4)8-11(12)6-2/h9-12H,5-8H2,1-4H3
InChIKeyYMLGGAGASASNSD-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds4

About 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane

1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane (PubChem CID 90801138) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
PubChem CID90801138
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
SMILESCCC(C)CC1C(C)CC1CC
InChIInChI=1S/C12H24/c1-5-9(3)7-12-10(4)8-11(12)6-2/h9-12H,5-8H2,1-4H3
InChIKeyYMLGGAGASASNSD-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-methyl-2-(2-methylpropyl)cyclobutane
CID 158664832
1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane
CID 123179311
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
1-ethyl-2-[2-(2-ethyl-3-methylcyclobutyl)propyl]-3-methylcyclobutane
CID 90753292
(2-ethyl-4-methylcyclobutyl)methanol
CID 123868868
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
1-ethyl-2-(2-methylbutyl)cyclopentane
CID 144979095
1,3-diethyl-4-methyl-2-propylcyclopentane
CID 143310394
methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)
CID 161111254
1-methyl-4-(2-methylbutyl)-2-propan-2-ylcyclopentane
CID 123749319
N,N-dimethyl-1-[3-methyl-2-(2-methylpropyl)cyclobutyl]methanamine
CID 123374526
2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
CID 155282268

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane?
The IUPAC name of 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane (CID 90801138) is 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane.
What is the SMILES notation for 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane?
The canonical SMILES for 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane is CCC(C)CC1C(C)CC1CC.
What is the InChIKey of 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane?
The InChIKey is YMLGGAGASASNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-9(3)7-12-10(4)8-11(12)6-2/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane?
1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane is sourced from PubChem (CID 90801138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).