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

C16H32 — CID 123179311

IUPAC1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane
SMILESCCCCCCC(C)CC1C(C)CC1CC
InChIInChI=1S/C16H32/c1-5-7-8-9-10-13(3)11-16-14(4)12-15(16)6-2/h13-16H,5-12H2,1-4H3
InChIKeyRZHZAQLFYQDLCZ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds8

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

1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane (PubChem CID 123179311) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane
PubChem CID123179311
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane
SMILESCCCCCCC(C)CC1C(C)CC1CC
InChIInChI=1S/C16H32/c1-5-7-8-9-10-13(3)11-16-14(4)12-15(16)6-2/h13-16H,5-12H2,1-4H3
InChIKeyRZHZAQLFYQDLCZ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-2-(2-methylbutyl)cyclobutane
CID 90801138
1,2-dimethyl-3-(2-methylheptyl)cyclobutane
CID 123911286
1-ethyl-3-methyl-2-(2-methylpropyl)cyclobutane
CID 158664832
2-methyltridecylcyclopropane
CID 123424034
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-ethyl-2-[2-(2-ethyl-3-methylcyclobutyl)propyl]-3-methylcyclobutane
CID 90753292
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
6-methylheptacosane
CID 22223776
6-methyloctacosane
CID 22223942

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane?
The IUPAC name of 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane (CID 123179311) is 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane.
What is the SMILES notation for 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane?
The canonical SMILES for 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane is CCCCCCC(C)CC1C(C)CC1CC.
What is the InChIKey of 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane?
The InChIKey is RZHZAQLFYQDLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-7-8-9-10-13(3)11-16-14(4)12-15(16)6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane?
1-ethyl-3-methyl-2-(2-methyloctyl)cyclobutane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 8 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-methyloctyl)cyclobutane is sourced from PubChem (CID 123179311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).