2-chloro-1,1,3-trimethylcyclopropane

C6H11Cl — CID 557870

IUPAC2-chloro-1,1,3-trimethylcyclopropane
SMILESCC1C(Cl)C1(C)C
InChIInChI=1S/C6H11Cl/c1-4-5(7)6(4,2)3/h4-5H,1-3H3
InChIKeyOVZCQGUCJMJJLX-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.27
Rot. Bonds

About 2-chloro-1,1,3-trimethylcyclopropane

2-chloro-1,1,3-trimethylcyclopropane (PubChem CID 557870) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 2-chloro-1,1,3-trimethylcyclopropane.

Molecular Properties

Compound Name2-chloro-1,1,3-trimethylcyclopropane
PubChem CID557870
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name2-chloro-1,1,3-trimethylcyclopropane
SMILESCC1C(Cl)C1(C)C
InChIInChI=1S/C6H11Cl/c1-4-5(7)6(4,2)3/h4-5H,1-3H3
InChIKeyOVZCQGUCJMJJLX-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

Cyclopropane, 1,1-dichloro-2,2,3-trimethyl
CID 286978
1,1-Dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
CID 2775273
3-Chloro-1,1,2,2-tetramethylcyclopropane
CID 566174
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 134895669
1-Chloro-1,2,2-trimethylcyclopropane
CID 557747
Cyclopropane, 2-chloro-1-ethyl-1-methyl-
CID 544586
(3S)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 134934907
cis-(1S,3S)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 134938177
2-(2-Chloroethyl)-1,1-dimethylcyclopropane
CID 23269032
2-Tert-butyl-1-chloro-1-fluorocyclopropane
CID 89549596
1-Chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane
CID 23269028

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,3-trimethylcyclopropane?
The IUPAC name of 2-chloro-1,1,3-trimethylcyclopropane (CID 557870) is 2-chloro-1,1,3-trimethylcyclopropane.
What is the SMILES notation for 2-chloro-1,1,3-trimethylcyclopropane?
The canonical SMILES for 2-chloro-1,1,3-trimethylcyclopropane is CC1C(Cl)C1(C)C.
What is the InChIKey of 2-chloro-1,1,3-trimethylcyclopropane?
The InChIKey is OVZCQGUCJMJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-4-5(7)6(4,2)3/h4-5H,1-3H3.
What are the key properties of 2-chloro-1,1,3-trimethylcyclopropane?
2-chloro-1,1,3-trimethylcyclopropane has a molecular weight of 118.61 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,3-trimethylcyclopropane is sourced from PubChem (CID 557870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).