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

C11H17Cl — CID 11019555

IUPAC5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(CCCl)C(C)=C1C
InChIInChI=1S/C11H17Cl/c1-7-8(2)10(4)11(5-6-12)9(7)3/h11H,5-6H2,1-4H3
InChIKeyMXSFQYNTDPVTCD-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.92
Rot. Bonds2

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

5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 11019555) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID11019555
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(CCCl)C(C)=C1C
InChIInChI=1S/C11H17Cl/c1-7-8(2)10(4)11(5-6-12)9(7)3/h11H,5-6H2,1-4H3
InChIKeyMXSFQYNTDPVTCD-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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Related Compounds

5-Chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 639333
5-(2-Chloroethyl)-1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 10986978
5-(2-Chloroethyl)-1,2,4,5-tetramethylcyclopenta-1,3-diene
CID 11789905
Trimethyl(tetramethyl(2 chloroethyl)cyclopentadienyl)silane
CID 129801216
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-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
(4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene
CID 126687241
1-chloro-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-indene
CID 132250048
1-(1-Chloroethyl)-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
CID 140035980

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 11019555) is 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(CCCl)C(C)=C1C.
What is the InChIKey of 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is MXSFQYNTDPVTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl/c1-7-8(2)10(4)11(5-6-12)9(7)3/h11H,5-6H2,1-4H3.
What are the key properties of 5-(2-chloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-(2-chloroethyl)-1,2,3,4-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)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 11019555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).