1-chloro-1,2,2-trimethylcyclopropane

C6H11Cl — CID 557747

IUPAC1-chloro-1,2,2-trimethylcyclopropane
SMILESCC1(C)CC1(C)Cl
InChIInChI=1S/C6H11Cl/c1-5(2)4-6(5,3)7/h4H2,1-3H3
InChIKeyCKBYOLOYXJPWBW-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.41
Rot. Bonds

About 1-chloro-1,2,2-trimethylcyclopropane

1-chloro-1,2,2-trimethylcyclopropane (PubChem CID 557747) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 1-chloro-1,2,2-trimethylcyclopropane.

Molecular Properties

Compound Name1-chloro-1,2,2-trimethylcyclopropane
PubChem CID557747
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name1-chloro-1,2,2-trimethylcyclopropane
SMILESCC1(C)CC1(C)Cl
InChIInChI=1S/C6H11Cl/c1-5(2)4-6(5,3)7/h4H2,1-3H3
InChIKeyCKBYOLOYXJPWBW-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.41
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 1-chloro-1,2,2-trimethylcyclopropane?
The IUPAC name of 1-chloro-1,2,2-trimethylcyclopropane (CID 557747) is 1-chloro-1,2,2-trimethylcyclopropane.
What is the SMILES notation for 1-chloro-1,2,2-trimethylcyclopropane?
The canonical SMILES for 1-chloro-1,2,2-trimethylcyclopropane is CC1(C)CC1(C)Cl.
What is the InChIKey of 1-chloro-1,2,2-trimethylcyclopropane?
The InChIKey is CKBYOLOYXJPWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-5(2)4-6(5,3)7/h4H2,1-3H3.
What are the key properties of 1-chloro-1,2,2-trimethylcyclopropane?
1-chloro-1,2,2-trimethylcyclopropane has a molecular weight of 118.61 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2-trimethylcyclopropane is sourced from PubChem (CID 557747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).