3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene

C12H19Cl — CID 121003614

IUPAC3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene
SMILESC=C1C(C)=C(C)C(C)(C(C)Cl)C1C
InChIInChI=1S/C12H19Cl/c1-7-8(2)10(4)12(6,9(7)3)11(5)13/h9,11H,1H2,2-6H3
InChIKeyAMCXFSORRPASFF-UHFFFAOYSA-N
MW198.74 g/mol
LogP4.16
Rot. Bonds1

About 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene

3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene (PubChem CID 121003614) has the molecular formula C12H19Cl and a molecular weight of 198.74 g/mol. Its IUPAC name is 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene.

Molecular Properties

Compound Name3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene
PubChem CID121003614
Molecular FormulaC12H19Cl
Molecular Weight198.74 g/mol
Exact Mass198.12
IUPAC Name3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene
SMILESC=C1C(C)=C(C)C(C)(C(C)Cl)C1C
InChIInChI=1S/C12H19Cl/c1-7-8(2)10(4)12(6,9(7)3)11(5)13/h9,11H,1H2,2-6H3
InChIKeyAMCXFSORRPASFF-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.74
LogP ≤ 54.16
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 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene?
The IUPAC name of 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene (CID 121003614) is 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene.
What is the SMILES notation for 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene?
The canonical SMILES for 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene is C=C1C(C)=C(C)C(C)(C(C)Cl)C1C.
What is the InChIKey of 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene?
The InChIKey is AMCXFSORRPASFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl/c1-7-8(2)10(4)12(6,9(7)3)11(5)13/h9,11H,1H2,2-6H3.
What are the key properties of 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene?
3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene has a molecular weight of 198.74 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-1,2,3,4-tetramethyl-5-methylidenecyclopentene is sourced from PubChem (CID 121003614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).