6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene

C13H11Cl3 — CID 15797704

IUPAC6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene
SMILESCC1(C(Cl)(Cl)Cl)C=CC(=C2C=CC=C2)C=C1
InChIInChI=1S/C13H11Cl3/c1-12(13(14,15)16)8-6-11(7-9-12)10-4-2-3-5-10/h2-9H,1H3
InChIKeyDSUPAGVEVHPBAI-UHFFFAOYSA-N
MW273.59 g/mol
LogP4.91
Rot. Bonds

About 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene

6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene (PubChem CID 15797704) has the molecular formula C13H11Cl3 and a molecular weight of 273.59 g/mol. Its IUPAC name is 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene
PubChem CID15797704
Molecular FormulaC13H11Cl3
Molecular Weight273.59 g/mol
Exact Mass271.99
IUPAC Name6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene
SMILESCC1(C(Cl)(Cl)Cl)C=CC(=C2C=CC=C2)C=C1
InChIInChI=1S/C13H11Cl3/c1-12(13(14,15)16)8-6-11(7-9-12)10-4-2-3-5-10/h2-9H,1H3
InChIKeyDSUPAGVEVHPBAI-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene?
The IUPAC name of 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene (CID 15797704) is 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene.
What is the SMILES notation for 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene?
The canonical SMILES for 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene is CC1(C(Cl)(Cl)Cl)C=CC(=C2C=CC=C2)C=C1.
What is the InChIKey of 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene?
The InChIKey is DSUPAGVEVHPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3/c1-12(13(14,15)16)8-6-11(7-9-12)10-4-2-3-5-10/h2-9H,1H3.
What are the key properties of 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene?
6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene has a molecular weight of 273.59 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene is sourced from PubChem (CID 15797704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).