1,2-diethylcyclopenta-1,3-diene

C9H14 — CID 13354401

IUPAC1,2-diethylcyclopenta-1,3-diene
SMILESCCC1=C(CC)CC=C1
InChIInChI=1S/C9H14/c1-3-8-6-5-7-9(8)4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyJWCGIEPBQUBBCH-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds2

About 1,2-diethylcyclopenta-1,3-diene

1,2-diethylcyclopenta-1,3-diene (PubChem CID 13354401) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1,2-diethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2-diethylcyclopenta-1,3-diene
PubChem CID13354401
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1,2-diethylcyclopenta-1,3-diene
SMILESCCC1=C(CC)CC=C1
InChIInChI=1S/C9H14/c1-3-8-6-5-7-9(8)4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyJWCGIEPBQUBBCH-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethylcyclopenta-1,3-diene?
The IUPAC name of 1,2-diethylcyclopenta-1,3-diene (CID 13354401) is 1,2-diethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2-diethylcyclopenta-1,3-diene?
The canonical SMILES for 1,2-diethylcyclopenta-1,3-diene is CCC1=C(CC)CC=C1.
What is the InChIKey of 1,2-diethylcyclopenta-1,3-diene?
The InChIKey is JWCGIEPBQUBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-8-6-5-7-9(8)4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1,2-diethylcyclopenta-1,3-diene?
1,2-diethylcyclopenta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylcyclopenta-1,3-diene is sourced from PubChem (CID 13354401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).