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

C10H14Cl2 — CID 141062114

IUPAC1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(Cl)Cl)=C1C
InChIInChI=1S/C10H14Cl2/c1-5-6(2)8(4)9(7(5)3)10(11)12/h7,10H,1-4H3
InChIKeyYESGVEQXKRJBBJ-UHFFFAOYSA-N
MW205.13 g/mol
LogP4.09
Rot. Bonds1

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

1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (PubChem CID 141062114) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
PubChem CID141062114
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(Cl)Cl)=C1C
InChIInChI=1S/C10H14Cl2/c1-5-6(2)8(4)9(7(5)3)10(11)12/h7,10H,1-4H3
InChIKeyYESGVEQXKRJBBJ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 54.09
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
3,5-Dichloro-1,6-dimethylcyclohexa-1,3-diene
CID 68320929
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
1,5-Dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene
CID 121299413
5-Chloro-1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 140389582
(5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene
CID 140974999
1,2,3,5-Tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene
CID 141049828
5-(1,2-Dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 141059334
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

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (CID 141062114) is 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(C)C(C(Cl)Cl)=C1C.
What is the InChIKey of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is YESGVEQXKRJBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-5-6(2)8(4)9(7(5)3)10(11)12/h7,10H,1-4H3.
What are the key properties of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 205.13 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 141062114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).