5,6-diethylcyclohepta-1,3-diene

C11H18 — CID 90988360

IUPAC5,6-diethylcyclohepta-1,3-diene
SMILESCCC1C=CC=CCC1CC
InChIInChI=1S/C11H18/c1-3-10-8-6-5-7-9-11(10)4-2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyGDVWMGXEPSPNMZ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds2

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

5,6-diethylcyclohepta-1,3-diene (PubChem CID 90988360) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5,6-diethylcyclohepta-1,3-diene.

Molecular Properties

Compound Name5,6-diethylcyclohepta-1,3-diene
PubChem CID90988360
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5,6-diethylcyclohepta-1,3-diene
SMILESCCC1C=CC=CCC1CC
InChIInChI=1S/C11H18/c1-3-10-8-6-5-7-9-11(10)4-2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyGDVWMGXEPSPNMZ-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-diethylcyclohexa-1,3-diene
CID 556515
(5R)-4-ethyl-5-methylcyclohexene
CID 154516565
6-ethylcyclohepta-1,3-diene
CID 123536313
5-propylcyclohexa-1,3-diene
CID 13212987
(1R,6S)-6-ethylcyclohex-3-en-1-amine
CID 129102540
3-[(2-ethylcyclopent-3-en-1-yl)methyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 175624655
ethane;(4S,5S)-4-ethyl-5-methylcycloheptene
CID 169190782
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
5-(2-methylbutan-2-yl)cyclohexa-1,3-diene
CID 154545542
5,6-diethylcyclohex-2-en-1-ol
CID 91278054
6-ethylcyclohex-3-en-1-amine;molecular hydrogen
CID 142008891
5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869

Frequently Asked Questions

What is the IUPAC name of 5,6-diethylcyclohepta-1,3-diene?
The IUPAC name of 5,6-diethylcyclohepta-1,3-diene (CID 90988360) is 5,6-diethylcyclohepta-1,3-diene.
What is the SMILES notation for 5,6-diethylcyclohepta-1,3-diene?
The canonical SMILES for 5,6-diethylcyclohepta-1,3-diene is CCC1C=CC=CCC1CC.
What is the InChIKey of 5,6-diethylcyclohepta-1,3-diene?
The InChIKey is GDVWMGXEPSPNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-10-8-6-5-7-9-11(10)4-2/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 5,6-diethylcyclohepta-1,3-diene?
5,6-diethylcyclohepta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethylcyclohepta-1,3-diene is sourced from PubChem (CID 90988360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).