1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene

C10H13Cl3 — CID 141049828

IUPAC1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(Cl)(Cl)Cl)=C1C
InChIInChI=1S/C10H13Cl3/c1-5-6(2)8(4)9(7(5)3)10(11,12)13/h7H,1-4H3
InChIKeyOFFQKHPCBZVPEO-UHFFFAOYSA-N
MW239.57 g/mol
LogP4.66
Rot. Bonds

About 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene

1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene (PubChem CID 141049828) has the molecular formula C10H13Cl3 and a molecular weight of 239.57 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene
PubChem CID141049828
Molecular FormulaC10H13Cl3
Molecular Weight239.57 g/mol
Exact Mass238.01
IUPAC Name1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(Cl)(Cl)Cl)=C1C
InChIInChI=1S/C10H13Cl3/c1-5-6(2)8(4)9(7(5)3)10(11,12)13/h7H,1-4H3
InChIKeyOFFQKHPCBZVPEO-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 639333
(2-Chloroethyl)-1,2,3,4-tetramethylcyclopentadiene
CID 11019555
1,3,5-Trichloro-2,4,5-trimethylcyclohexa-1,3-diene
CID 70400329
5-(Chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 89352533
5-Chloro-1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 140389582
5-(1,2-Dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 141059334
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 141062114
(3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene
CID 143328452
5-Chloro-1-(chloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 145791327
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;rhodium(3+)
CID 158589724
5-Chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 158771869
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;rhodium
CID 160604705

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene (CID 141049828) is 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene is CC1=C(C)C(C)C(C(Cl)(Cl)Cl)=C1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene?
The InChIKey is OFFQKHPCBZVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3/c1-5-6(2)8(4)9(7(5)3)10(11,12)13/h7H,1-4H3.
What are the key properties of 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene?
1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene has a molecular weight of 239.57 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 141049828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).