2-chloro-1,1-dimethylcyclopropane

C5H9Cl — CID 13333446

IUPAC2-chloro-1,1-dimethylcyclopropane
SMILESCC1(C)CC1Cl
InChIInChI=1S/C5H9Cl/c1-5(2)3-4(5)6/h4H,3H2,1-2H3
InChIKeyVKHSRYYWICBVOW-UHFFFAOYSA-N
MW104.58 g/mol
LogP2.02
Rot. Bonds

About 2-chloro-1,1-dimethylcyclopropane

2-chloro-1,1-dimethylcyclopropane (PubChem CID 13333446) has the molecular formula C5H9Cl and a molecular weight of 104.58 g/mol. Its IUPAC name is 2-chloro-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-chloro-1,1-dimethylcyclopropane
PubChem CID13333446
Molecular FormulaC5H9Cl
Molecular Weight104.58 g/mol
Exact Mass104.04
IUPAC Name2-chloro-1,1-dimethylcyclopropane
SMILESCC1(C)CC1Cl
InChIInChI=1S/C5H9Cl/c1-5(2)3-4(5)6/h4H,3H2,1-2H3
InChIKeyVKHSRYYWICBVOW-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.58
LogP ≤ 52.02
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 2-chloro-1,1-dimethylcyclopropane?
The IUPAC name of 2-chloro-1,1-dimethylcyclopropane (CID 13333446) is 2-chloro-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-chloro-1,1-dimethylcyclopropane?
The canonical SMILES for 2-chloro-1,1-dimethylcyclopropane is CC1(C)CC1Cl.
What is the InChIKey of 2-chloro-1,1-dimethylcyclopropane?
The InChIKey is VKHSRYYWICBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl/c1-5(2)3-4(5)6/h4H,3H2,1-2H3.
What are the key properties of 2-chloro-1,1-dimethylcyclopropane?
2-chloro-1,1-dimethylcyclopropane has a molecular weight of 104.58 g/mol, XLogP of 2.02, 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-dimethylcyclopropane is sourced from PubChem (CID 13333446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).