1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene

C10H14 — CID 13354249

IUPAC1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(C)(C)C(C)=C1
InChIInChI=1S/C10H14/c1-8-5-6-10(3,4)9(2)7-8/h5-7H,1H2,2-4H3
InChIKeyFVUBCSFLQFDTIJ-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds

About 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene

1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene (PubChem CID 13354249) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene
PubChem CID13354249
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(C)(C)C(C)=C1
InChIInChI=1S/C10H14/c1-8-5-6-10(3,4)9(2)7-8/h5-7H,1H2,2-4H3
InChIKeyFVUBCSFLQFDTIJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyl-1,3-cyclohexadiene
CID 73885
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
p-Mentha-2,4-diene
CID 6428962
beta-Pyronene
CID 228342
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
Pentamethylcyclopentadiene
CID 142539
1,5-Heptadiene, 3,3,6-trimethyl-
CID 520731
Cyclohexene, 3,3-dimethyl-6-methylene-
CID 572074
(2-Methylprop-1-enyl)-cyclohexa-1,3-diene
CID 523863
2,6-Dimethyl-1,3,6-heptatriene
CID 5368331
Npc271042
CID 572140
Npc86941
CID 572142

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene (CID 13354249) is 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene is C=C1C=CC(C)(C)C(C)=C1.
What is the InChIKey of 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene?
The InChIKey is FVUBCSFLQFDTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-5-6-10(3,4)9(2)7-8/h5-7H,1H2,2-4H3.
What are the key properties of 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene?
1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-3-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 13354249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).