1,3-dimethylcyclohepta-1,2,4,6-tetraene

C9H10 — CID 123238184

IUPAC1,3-dimethylcyclohepta-1,2,4,6-tetraene
SMILESCC1=C=C(C)C=CC=C1
InChIInChI=1S/C9H10/c1-8-5-3-4-6-9(2)7-8/h3-6H,1-2H3
InChIKeyAZNZTHNXLYNWDN-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.60
Rot. Bonds

About 1,3-dimethylcyclohepta-1,2,4,6-tetraene

1,3-dimethylcyclohepta-1,2,4,6-tetraene (PubChem CID 123238184) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1,3-dimethylcyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name1,3-dimethylcyclohepta-1,2,4,6-tetraene
PubChem CID123238184
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name1,3-dimethylcyclohepta-1,2,4,6-tetraene
SMILESCC1=C=C(C)C=CC=C1
InChIInChI=1S/C9H10/c1-8-5-3-4-6-9(2)7-8/h3-6H,1-2H3
InChIKeyAZNZTHNXLYNWDN-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-methylcyclopenta-1,2,4-triene
CID 164594909
1-methylcycloocta-1,2,4,5,7-pentaene
CID 123730588
(3Z,5Z)-1,2,3,4-tetramethylcycloocta-1,3,5,7-tetraene
CID 173070981
1-methylcyclohexa-1,2,3,5-tetraene;propane
CID 143027028
3-methylcyclopenta-1,2,4-triene-1-carboxylic acid
CID 177396230
8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene
CID 91520198
5-cyclopenta-2,4-dien-1-ylidene-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 11734602
10-methylbicyclo[4.3.1]deca-1(10),2,4,6,8-pentaene
CID 163536281
9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene
CID 143010186
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
(1Z,3Z,5Z,7Z)-1,3-dimethylcycloocta-1,3,5,7-tetraene
CID 139752949
1-(5,7-dimethyl-1-azacyclohepta-1,3,5,6-tetraen-2-yl)-1-ethenylhydrazine
CID 90807757

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohepta-1,2,4,6-tetraene?
The IUPAC name of 1,3-dimethylcyclohepta-1,2,4,6-tetraene (CID 123238184) is 1,3-dimethylcyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 1,3-dimethylcyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 1,3-dimethylcyclohepta-1,2,4,6-tetraene is CC1=C=C(C)C=CC=C1.
What is the InChIKey of 1,3-dimethylcyclohepta-1,2,4,6-tetraene?
The InChIKey is AZNZTHNXLYNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-8-5-3-4-6-9(2)7-8/h3-6H,1-2H3.
What are the key properties of 1,3-dimethylcyclohepta-1,2,4,6-tetraene?
1,3-dimethylcyclohepta-1,2,4,6-tetraene has a molecular weight of 118.18 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 123238184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).