5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene

C11H16Cl2 — CID 141059334

IUPAC5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C(Cl)CCl)C(C)=C1C
InChIInChI=1S/C11H16Cl2/c1-6-7(2)9(4)11(8(6)3)10(13)5-12/h10-11H,5H2,1-4H3
InChIKeyNFXAVSHIQGCRPO-UHFFFAOYSA-N
MW219.15 g/mol
LogP4.14
Rot. Bonds2

About 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene

5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 141059334) has the molecular formula C11H16Cl2 and a molecular weight of 219.15 g/mol. Its IUPAC name is 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID141059334
Molecular FormulaC11H16Cl2
Molecular Weight219.15 g/mol
Exact Mass218.06
IUPAC Name5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C(Cl)CCl)C(C)=C1C
InChIInChI=1S/C11H16Cl2/c1-6-7(2)9(4)11(8(6)3)10(13)5-12/h10-11H,5H2,1-4H3
InChIKeyNFXAVSHIQGCRPO-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 54.14
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

(2-Chloroethyl)-1,2,3,4-tetramethylcyclopentadiene
CID 11019555
5-(1-Chloroethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 12480830
5-(Chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 89352533
5-(Dichloromethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 101840867
5-(Chloromethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 101840870
5-Chloro-1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 140389582
1,2,3,5-Tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene
CID 141049828
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 141062114
5-(1,4-Dichlorobutan-2-yl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 141149414
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
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;rhodium
CID 160604705

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 141059334) is 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(C(Cl)CCl)C(C)=C1C.
What is the InChIKey of 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is NFXAVSHIQGCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2/c1-6-7(2)9(4)11(8(6)3)10(13)5-12/h10-11H,5H2,1-4H3.
What are the key properties of 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 219.15 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 141059334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).