4-ethyl-1,4-dimethylcyclohexa-1,2-diene

C10H16 — CID 163577180

IUPAC4-ethyl-1,4-dimethylcyclohexa-1,2-diene
SMILESCCC1(C)C=C=C(C)CC1
InChIInChI=1S/C10H16/c1-4-10(3)7-5-9(2)6-8-10/h8H,4-5,7H2,1-3H3
InChIKeyGEMMWYSJBUELSD-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.30
Rot. Bonds1

About 4-ethyl-1,4-dimethylcyclohexa-1,2-diene

4-ethyl-1,4-dimethylcyclohexa-1,2-diene (PubChem CID 163577180) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-ethyl-1,4-dimethylcyclohexa-1,2-diene.

Molecular Properties

Compound Name4-ethyl-1,4-dimethylcyclohexa-1,2-diene
PubChem CID163577180
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-ethyl-1,4-dimethylcyclohexa-1,2-diene
SMILESCCC1(C)C=C=C(C)CC1
InChIInChI=1S/C10H16/c1-4-10(3)7-5-9(2)6-8-10/h8H,4-5,7H2,1-3H3
InChIKeyGEMMWYSJBUELSD-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 143707961
CID 143707961
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-dimethylcyclohexa-1,2-diene?
The IUPAC name of 4-ethyl-1,4-dimethylcyclohexa-1,2-diene (CID 163577180) is 4-ethyl-1,4-dimethylcyclohexa-1,2-diene.
What is the SMILES notation for 4-ethyl-1,4-dimethylcyclohexa-1,2-diene?
The canonical SMILES for 4-ethyl-1,4-dimethylcyclohexa-1,2-diene is CCC1(C)C=C=C(C)CC1.
What is the InChIKey of 4-ethyl-1,4-dimethylcyclohexa-1,2-diene?
The InChIKey is GEMMWYSJBUELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-10(3)7-5-9(2)6-8-10/h8H,4-5,7H2,1-3H3.
What are the key properties of 4-ethyl-1,4-dimethylcyclohexa-1,2-diene?
4-ethyl-1,4-dimethylcyclohexa-1,2-diene has a molecular weight of 136.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-dimethylcyclohexa-1,2-diene is sourced from PubChem (CID 163577180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).