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

C10H15Cl — CID 89352533

IUPAC5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(CCl)C(C)=C1C
InChIInChI=1S/C10H15Cl/c1-6-7(2)9(4)10(5-11)8(6)3/h10H,5H2,1-4H3
InChIKeyHTVCLZCLMDJAML-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.53
Rot. Bonds1

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

5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 89352533) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID89352533
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(CCl)C(C)=C1C
InChIInChI=1S/C10H15Cl/c1-6-7(2)9(4)10(5-11)8(6)3/h10H,5H2,1-4H3
InChIKeyHTVCLZCLMDJAML-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.53
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
5-(1-Chloroethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 12480830
5-Chloro-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 12187271
5-(Chloromethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 101840870
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 89352533) is 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(CCl)C(C)=C1C.
What is the InChIKey of 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is HTVCLZCLMDJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-6-7(2)9(4)10(5-11)8(6)3/h10H,5H2,1-4H3.
What are the key properties of 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 170.68 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 89352533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).