1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane

C7H10Cl2 — CID 70399256

IUPAC1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane
SMILESC=CCC1(C)CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2/c1-3-4-6(2)5-7(6,8)9/h3H,1,4-5H2,2H3
InChIKeyKJLPUBDMGVNPAR-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.15
Rot. Bonds2

About 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane

1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane (PubChem CID 70399256) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane
PubChem CID70399256
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane
SMILESC=CCC1(C)CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2/c1-3-4-6(2)5-7(6,8)9/h3H,1,4-5H2,2H3
InChIKeyKJLPUBDMGVNPAR-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-dichloro-1-methylcyclopropyl)methanol
CID 13018564
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768
3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane
CID 174682526
2-chloro-3-methyl-2-prop-2-enyloxirane
CID 174855099
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
1-(chloromethyl)-1-prop-2-enylcyclopropane
CID 130618366
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
CID 71726289
3,3,5-trimethyl-5-prop-2-enylcyclohexan-1-one
CID 14874840
[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]methanol
CID 10704445
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane?
The IUPAC name of 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane (CID 70399256) is 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane.
What is the SMILES notation for 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane?
The canonical SMILES for 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane is C=CCC1(C)CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane?
The InChIKey is KJLPUBDMGVNPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-3-4-6(2)5-7(6,8)9/h3H,1,4-5H2,2H3.
What are the key properties of 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane?
1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane has a molecular weight of 165.06 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane is sourced from PubChem (CID 70399256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).