3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene

C8H11Cl — CID 11094732

IUPAC3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene
SMILESC=C1C(C)=C(C)C1(C)Cl
InChIInChI=1S/C8H11Cl/c1-5-6(2)8(4,9)7(5)3/h2H2,1,3-4H3
InChIKeyTWZLHDRFKVUAJG-UHFFFAOYSA-N
MW142.63 g/mol
LogP2.89
Rot. Bonds

About 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene

3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene (PubChem CID 11094732) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene.

Molecular Properties

Compound Name3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene
PubChem CID11094732
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene
SMILESC=C1C(C)=C(C)C1(C)Cl
InChIInChI=1S/C8H11Cl/c1-5-6(2)8(4,9)7(5)3/h2H2,1,3-4H3
InChIKeyTWZLHDRFKVUAJG-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.89
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-chloro-1,2,3-trimethyl-4-methylidenecyclobutene?
The IUPAC name of 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene (CID 11094732) is 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene.
What is the SMILES notation for 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene?
The canonical SMILES for 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene is C=C1C(C)=C(C)C1(C)Cl.
What is the InChIKey of 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene?
The InChIKey is TWZLHDRFKVUAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c1-5-6(2)8(4,9)7(5)3/h2H2,1,3-4H3.
What are the key properties of 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene?
3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene has a molecular weight of 142.63 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene is sourced from PubChem (CID 11094732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).