1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene

C18H23- — CID 161461012

IUPAC1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene
SMILESC=C1C=CC=C(C)[C-]1C.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C9H11/c2*1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3;4-6H,1H2,2-3H3/q;-1
InChIKeyWBUQUSYNOIVNLW-UHFFFAOYSA-N
MW239.38 g/mol
LogP5.26
Rot. Bonds

About 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene

1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene (PubChem CID 161461012) has the molecular formula C18H23- and a molecular weight of 239.38 g/mol. Its IUPAC name is 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene.

Molecular Properties

Compound Name1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene
PubChem CID161461012
Molecular FormulaC18H23-
Molecular Weight239.38 g/mol
Exact Mass239.18
IUPAC Name1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene
SMILESC=C1C=CC=C(C)[C-]1C.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C9H11/c2*1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3;4-6H,1H2,2-3H3/q;-1
InChIKeyWBUQUSYNOIVNLW-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
dichlororuthenium;1,2,3-trimethylbenzene
CID 87163409
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
hexane;1,2,3-trimethylbenzene
CID 159405289
1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene
CID 19967667
N-ethenyl-2,3-dimethylaniline
CID 70358153

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene?
The IUPAC name of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene (CID 161461012) is 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene.
What is the SMILES notation for 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene?
The canonical SMILES for 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene is C=C1C=CC=C(C)[C-]1C.Cc1cccc(C)c1C.
What is the InChIKey of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene?
The InChIKey is WBUQUSYNOIVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C9H11/c2*1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3;4-6H,1H2,2-3H3/q;-1.
What are the key properties of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene?
1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene has a molecular weight of 239.38 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2,3-trimethylbenzene is sourced from PubChem (CID 161461012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).