5-ethyl-5-methylcyclohexa-1,3-diene

C9H14 — CID 12714122

IUPAC5-ethyl-5-methylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC=CC1
InChIInChI=1S/C9H14/c1-3-9(2)7-5-4-6-8-9/h4-7H,3,8H2,1-2H3
InChIKeyVSFMZSQMOLEVOM-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

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

5-ethyl-5-methylcyclohexa-1,3-diene (PubChem CID 12714122) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 5-ethyl-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-5-methylcyclohexa-1,3-diene
PubChem CID12714122
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name5-ethyl-5-methylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC=CC1
InChIInChI=1S/C9H14/c1-3-9(2)7-5-4-6-8-9/h4-7H,3,8H2,1-2H3
InChIKeyVSFMZSQMOLEVOM-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-5-methylcyclohexa-1,3-diene (CID 12714122) is 5-ethyl-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-5-methylcyclohexa-1,3-diene is CCC1(C)C=CC=CC1.
What is the InChIKey of 5-ethyl-5-methylcyclohexa-1,3-diene?
The InChIKey is VSFMZSQMOLEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9(2)7-5-4-6-8-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-5-methylcyclohexa-1,3-diene?
5-ethyl-5-methylcyclohexa-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 12714122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).