1,5,5-trimethylcyclohexa-1,3-diene

C9H14 — CID 12983934

IUPAC1,5,5-trimethylcyclohexa-1,3-diene
SMILESCC1=CC=CC(C)(C)C1
InChIInChI=1S/C9H14/c1-8-5-4-6-9(2,3)7-8/h4-6H,7H2,1-3H3
InChIKeyHFJLEEDEYLPHFS-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds

About 1,5,5-trimethylcyclohexa-1,3-diene

1,5,5-trimethylcyclohexa-1,3-diene (PubChem CID 12983934) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1,5,5-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5,5-trimethylcyclohexa-1,3-diene
PubChem CID12983934
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1,5,5-trimethylcyclohexa-1,3-diene
SMILESCC1=CC=CC(C)(C)C1
InChIInChI=1S/C9H14/c1-8-5-4-6-9(2,3)7-8/h4-6H,7H2,1-3H3
InChIKeyHFJLEEDEYLPHFS-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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Related Compounds

(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
Isoterpinolene
CID 102443
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
(1E,6E)-gamma-humulene
CID 6365330
Cyclohexene, 1,5,5-trimethyl-6-methylene-
CID 578237
(1Z,6E)-gamma-humulene
CID 14038477
beta-Pyronene
CID 228342
(6E,8E)-4,6,8-Megastigmatriene
CID 5369483
1,5,8-p-Menthatriene
CID 527424
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
(Z,Z,Z)-1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene
CID 5368784

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethylcyclohexa-1,3-diene?
The IUPAC name of 1,5,5-trimethylcyclohexa-1,3-diene (CID 12983934) is 1,5,5-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5,5-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 1,5,5-trimethylcyclohexa-1,3-diene is CC1=CC=CC(C)(C)C1.
What is the InChIKey of 1,5,5-trimethylcyclohexa-1,3-diene?
The InChIKey is HFJLEEDEYLPHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-8-5-4-6-9(2,3)7-8/h4-6H,7H2,1-3H3.
What are the key properties of 1,5,5-trimethylcyclohexa-1,3-diene?
1,5,5-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 1,5,5-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 12983934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).