5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene

C11H17Cl — CID 10986978

IUPAC5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=CC(C)(CCCl)C(C)=C1C
InChIInChI=1S/C11H17Cl/c1-8-7-11(4,5-6-12)10(3)9(8)2/h7H,5-6H2,1-4H3
InChIKeyLEQOZKFPRWCPIC-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.92
Rot. Bonds2

About 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene

5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene (PubChem CID 10986978) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene
PubChem CID10986978
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=CC(C)(CCCl)C(C)=C1C
InChIInChI=1S/C11H17Cl/c1-8-7-11(4,5-6-12)10(3)9(8)2/h7H,5-6H2,1-4H3
InChIKeyLEQOZKFPRWCPIC-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.92
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 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene (CID 10986978) is 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene is CC1=CC(C)(CCCl)C(C)=C1C.
What is the InChIKey of 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is LEQOZKFPRWCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl/c1-8-7-11(4,5-6-12)10(3)9(8)2/h7H,5-6H2,1-4H3.
What are the key properties of 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene?
5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 184.71 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 10986978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).