1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane

C9H16Cl2 — CID 89112098

IUPAC1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
SMILESCCC(C)(C)CC1CC1(Cl)Cl
InChIInChI=1S/C9H16Cl2/c1-4-8(2,3)5-7-6-9(7,10)11/h7H,4-6H2,1-3H3
InChIKeyNMJONALJFVFVMA-UHFFFAOYSA-N
MW195.13 g/mol
LogP4.01
Rot. Bonds3

About 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane

1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane (PubChem CID 89112098) has the molecular formula C9H16Cl2 and a molecular weight of 195.13 g/mol. Its IUPAC name is 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
PubChem CID89112098
Molecular FormulaC9H16Cl2
Molecular Weight195.13 g/mol
Exact Mass194.06
IUPAC Name1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
SMILESCCC(C)(C)CC1CC1(Cl)Cl
InChIInChI=1S/C9H16Cl2/c1-4-8(2,3)5-7-6-9(7,10)11/h7H,4-6H2,1-3H3
InChIKeyNMJONALJFVFVMA-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 54.01
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 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane?
The IUPAC name of 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane (CID 89112098) is 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane.
What is the SMILES notation for 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane?
The canonical SMILES for 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane is CCC(C)(C)CC1CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane?
The InChIKey is NMJONALJFVFVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2/c1-4-8(2,3)5-7-6-9(7,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane?
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane has a molecular weight of 195.13 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane is sourced from PubChem (CID 89112098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).