5,6-diethylcyclohexa-1,3-diene

C10H16 — CID 556515

IUPAC5,6-diethylcyclohexa-1,3-diene
SMILESCCC1C=CC=CC1CC
InChIInChI=1S/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h5-10H,3-4H2,1-2H3
InChIKeyBNJMQJZSWILTPK-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds2

About 5,6-diethylcyclohexa-1,3-diene

5,6-diethylcyclohexa-1,3-diene (PubChem CID 556515) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5,6-diethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-diethylcyclohexa-1,3-diene
PubChem CID556515
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5,6-diethylcyclohexa-1,3-diene
SMILESCCC1C=CC=CC1CC
InChIInChI=1S/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h5-10H,3-4H2,1-2H3
InChIKeyBNJMQJZSWILTPK-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethylcyclohexa-1,3-diene?
The IUPAC name of 5,6-diethylcyclohexa-1,3-diene (CID 556515) is 5,6-diethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-diethylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-diethylcyclohexa-1,3-diene is CCC1C=CC=CC1CC.
What is the InChIKey of 5,6-diethylcyclohexa-1,3-diene?
The InChIKey is BNJMQJZSWILTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 5,6-diethylcyclohexa-1,3-diene?
5,6-diethylcyclohexa-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethylcyclohexa-1,3-diene is sourced from PubChem (CID 556515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).