1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane

C12H24 — CID 91121351

IUPAC1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane
SMILESCCC1CC(C)C1C(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11-7-9(4)12(11)10(5)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyJIEMFZKKSNBLAC-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds3

About 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane

1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane (PubChem CID 91121351) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane
PubChem CID91121351
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane
SMILESCCC1CC(C)C1C(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11-7-9(4)12(11)10(5)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyJIEMFZKKSNBLAC-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 155747981
2-ethyl-3-[1-(2-ethyl-4-methylcyclobutyl)ethyl]cyclopropan-1-ol
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2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
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1-ethyl-3-methyl-2-(2-methylpropyl)cyclobutane
CID 158664832
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
CID 90801138
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
CID 90998982
2-ethyl-4-methylbicyclo[3.1.1]heptane
CID 148678391
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane?
The IUPAC name of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane (CID 91121351) is 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane.
What is the SMILES notation for 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane?
The canonical SMILES for 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane is CCC1CC(C)C1C(C)C(C)C.
What is the InChIKey of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane?
The InChIKey is JIEMFZKKSNBLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-11-7-9(4)12(11)10(5)8(2)3/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane?
1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 3 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-(3-methylbutan-2-yl)cyclobutane is sourced from PubChem (CID 91121351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).