7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene

C16H28 — CID 91028432

IUPAC7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene
SMILESCCC1CCC=CC(C)=C(C(C)(C)CC)C1
InChIInChI=1S/C16H28/c1-6-14-11-9-8-10-13(3)15(12-14)16(4,5)7-2/h8,10,14H,6-7,9,11-12H2,1-5H3
InChIKeyYLPFXHPROWMOTJ-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.51
Rot. Bonds3

About 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene

7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene (PubChem CID 91028432) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene.

Molecular Properties

Compound Name7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene
PubChem CID91028432
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene
SMILESCCC1CCC=CC(C)=C(C(C)(C)CC)C1
InChIInChI=1S/C16H28/c1-6-14-11-9-8-10-13(3)15(12-14)16(4,5)7-2/h8,10,14H,6-7,9,11-12H2,1-5H3
InChIKeyYLPFXHPROWMOTJ-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene?
The IUPAC name of 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene (CID 91028432) is 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene.
What is the SMILES notation for 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene?
The canonical SMILES for 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene is CCC1CCC=CC(C)=C(C(C)(C)CC)C1.
What is the InChIKey of 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene?
The InChIKey is YLPFXHPROWMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-14-11-9-8-10-13(3)15(12-14)16(4,5)7-2/h8,10,14H,6-7,9,11-12H2,1-5H3.
What are the key properties of 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene?
7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene has a molecular weight of 220.40 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene is sourced from PubChem (CID 91028432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).