cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride

C11H14Cl4O2 — CID 159321581

IUPACcyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride
SMILESCCC1(C(=O)Cl)C(C)C1(Cl)Cl.O=C(Cl)C1CC1
InChIInChI=1S/C7H9Cl3O.C4H5ClO/c1-3-6(5(8)11)4(2)7(6,9)10;5-4(6)3-1-2-3/h4H,3H2,1-2H3;3H,1-2H2
InChIKeyLDVJKIVLFMREGD-UHFFFAOYSA-N
MW320.04 g/mol
LogP4.13
Rot. Bonds3

About cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride

cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride (PubChem CID 159321581) has the molecular formula C11H14Cl4O2 and a molecular weight of 320.04 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Namecyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride
PubChem CID159321581
Molecular FormulaC11H14Cl4O2
Molecular Weight320.04 g/mol
Exact Mass317.97
IUPAC Namecyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride
SMILESCCC1(C(=O)Cl)C(C)C1(Cl)Cl.O=C(Cl)C1CC1
InChIInChI=1S/C7H9Cl3O.C4H5ClO/c1-3-6(5(8)11)4(2)7(6,9)10;5-4(6)3-1-2-3/h4H,3H2,1-2H3;3H,1-2H2
InChIKeyLDVJKIVLFMREGD-UHFFFAOYSA-N
XLogP4.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.04
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
2,2-dichloro-1-(chloromethyl)-3-methylcyclopropane-1-carboxylic acid
CID 19898050
4-propoxycyclohexane-1-carbonyl chloride
CID 13343846
2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride
CID 45081850
4-(difluoromethyl)cyclohexane-1-carbonyl chloride
CID 59569161
4-(2-chloro-2-oxoethyl)cyclohexane-1-carbonyl chloride
CID 170407759
4-cyanocyclohexane-1-carbonyl chloride
CID 12653192
2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride
CID 139707489
2,3-diethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 22261276
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide
CID 113489159
2-amino-1-(3,4-dimethylcyclohexyl)ethanone
CID 116548380

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride?
The IUPAC name of cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride (CID 159321581) is cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride?
The canonical SMILES for cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride is CCC1(C(=O)Cl)C(C)C1(Cl)Cl.O=C(Cl)C1CC1.
What is the InChIKey of cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride?
The InChIKey is LDVJKIVLFMREGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3O.C4H5ClO/c1-3-6(5(8)11)4(2)7(6,9)10;5-4(6)3-1-2-3/h4H,3H2,1-2H3;3H,1-2H2.
What are the key properties of cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride?
cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride has a molecular weight of 320.04 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl chloride;2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 159321581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).