5-ethyl-1,5-dimethylcyclohexa-1,3-diene

C10H16 — CID 19013748

IUPAC5-ethyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC=C(C)C1
InChIInChI=1S/C10H16/c1-4-10(3)7-5-6-9(2)8-10/h5-7H,4,8H2,1-3H3
InChIKeyLYLXTBPMEVQLCE-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds1

About 5-ethyl-1,5-dimethylcyclohexa-1,3-diene

5-ethyl-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 19013748) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-ethyl-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-1,5-dimethylcyclohexa-1,3-diene
PubChem CID19013748
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-ethyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC=C(C)C1
InChIInChI=1S/C10H16/c1-4-10(3)7-5-6-9(2)8-10/h5-7H,4,8H2,1-3H3
InChIKeyLYLXTBPMEVQLCE-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-1,5-dimethylcyclohexa-1,3-diene (CID 19013748) is 5-ethyl-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-1,5-dimethylcyclohexa-1,3-diene is CCC1(C)C=CC=C(C)C1.
What is the InChIKey of 5-ethyl-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is LYLXTBPMEVQLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-10(3)7-5-6-9(2)8-10/h5-7H,4,8H2,1-3H3.
What are the key properties of 5-ethyl-1,5-dimethylcyclohexa-1,3-diene?
5-ethyl-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 19013748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).