2,6,6-trimethylcyclohexa-1,3-diene

C9H14 — CID 10898711

IUPAC2,6,6-trimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)(C)CC=C1
InChIInChI=1S/C9H14/c1-8-5-4-6-9(2,3)7-8/h4-5,7H,6H2,1-3H3
InChIKeyHIPJINRMIDCBDO-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds

About 2,6,6-trimethylcyclohexa-1,3-diene

2,6,6-trimethylcyclohexa-1,3-diene (PubChem CID 10898711) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,6,6-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6,6-trimethylcyclohexa-1,3-diene
PubChem CID10898711
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,6,6-trimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)(C)CC=C1
InChIInChI=1S/C9H14/c1-8-5-4-6-9(2,3)7-8/h4-5,7H,6H2,1-3H3
InChIKeyHIPJINRMIDCBDO-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 2,6,6-trimethylcyclohexa-1,3-diene?
The IUPAC name of 2,6,6-trimethylcyclohexa-1,3-diene (CID 10898711) is 2,6,6-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,6,6-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 2,6,6-trimethylcyclohexa-1,3-diene is CC1=CC(C)(C)CC=C1.
What is the InChIKey of 2,6,6-trimethylcyclohexa-1,3-diene?
The InChIKey is HIPJINRMIDCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-8-5-4-6-9(2,3)7-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 2,6,6-trimethylcyclohexa-1,3-diene?
2,6,6-trimethylcyclohexa-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 10898711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).