ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate

C17H28O2 — CID 11108233

IUPACethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate
SMILESCCOC(=O)CC1C(CC)=C(CC)C(CC)=C1CC
InChIInChI=1S/C17H28O2/c1-6-12-13(7-2)15(9-4)16(14(12)8-3)11-17(18)19-10-5/h16H,6-11H2,1-5H3
InChIKeyNHMMRSFUAJVCJX-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.80
Rot. Bonds7

About ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate

ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate (PubChem CID 11108233) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate
PubChem CID11108233
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate
SMILESCCOC(=O)CC1C(CC)=C(CC)C(CC)=C1CC
InChIInChI=1S/C17H28O2/c1-6-12-13(7-2)15(9-4)16(14(12)8-3)11-17(18)19-10-5/h16H,6-11H2,1-5H3
InChIKeyNHMMRSFUAJVCJX-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate?
The IUPAC name of ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate (CID 11108233) is ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate is CCOC(=O)CC1C(CC)=C(CC)C(CC)=C1CC.
What is the InChIKey of ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate?
The InChIKey is NHMMRSFUAJVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-12-13(7-2)15(9-4)16(14(12)8-3)11-17(18)19-10-5/h16H,6-11H2,1-5H3.
What are the key properties of ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate?
ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate has a molecular weight of 264.41 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)acetate is sourced from PubChem (CID 11108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).