1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene

C16H28 — CID 154057871

IUPAC1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene
SMILESCCCC1C(CC)=C(CC)C(CC)=C1CC
InChIInChI=1S/C16H28/c1-6-11-16-14(9-4)12(7-2)13(8-3)15(16)10-5/h16H,6-11H2,1-5H3
InChIKeyDXYIVJAUALSFGJ-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.65
Rot. Bonds6

About 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene

1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene (PubChem CID 154057871) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene
PubChem CID154057871
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene
SMILESCCCC1C(CC)=C(CC)C(CC)=C1CC
InChIInChI=1S/C16H28/c1-6-11-16-14(9-4)12(7-2)13(8-3)15(16)10-5/h16H,6-11H2,1-5H3
InChIKeyDXYIVJAUALSFGJ-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene (CID 154057871) is 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene is CCCC1C(CC)=C(CC)C(CC)=C1CC.
What is the InChIKey of 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene?
The InChIKey is DXYIVJAUALSFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-11-16-14(9-4)12(7-2)13(8-3)15(16)10-5/h16H,6-11H2,1-5H3.
What are the key properties of 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene?
1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene has a molecular weight of 220.40 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene is sourced from PubChem (CID 154057871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).