1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane

C14H28 — CID 123200605

IUPAC1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane
SMILESCCCCC(C)CC1(CC)CCC1C
InChIInChI=1S/C14H28/c1-5-7-8-12(3)11-14(6-2)10-9-13(14)4/h12-13H,5-11H2,1-4H3
InChIKeyJHWIKKQDQFHZQN-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds6

About 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane

1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane (PubChem CID 123200605) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane
PubChem CID123200605
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane
SMILESCCCCC(C)CC1(CC)CCC1C
InChIInChI=1S/C14H28/c1-5-7-8-12(3)11-14(6-2)10-9-13(14)4/h12-13H,5-11H2,1-4H3
InChIKeyJHWIKKQDQFHZQN-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane?
The IUPAC name of 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane (CID 123200605) is 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane.
What is the SMILES notation for 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane?
The canonical SMILES for 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane is CCCCC(C)CC1(CC)CCC1C.
What is the InChIKey of 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane?
The InChIKey is JHWIKKQDQFHZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-7-8-12(3)11-14(6-2)10-9-13(14)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane?
1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane is sourced from PubChem (CID 123200605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).