chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane

C9H11Cl7 — CID 88651642

IUPACchlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.ClC1CC1
InChIInChI=1S/C6H6Cl6.C3H5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9;4-3-1-2-3/h1-6H;3H,1-2H2
InChIKeyYZWHGGLGPXJQLS-UHFFFAOYSA-N
MW367.36 g/mol
LogP5.03
Rot. Bonds

About chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane

chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane (PubChem CID 88651642) has the molecular formula C9H11Cl7 and a molecular weight of 367.36 g/mol. Its IUPAC name is chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane.

Molecular Properties

Compound Namechlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
PubChem CID88651642
Molecular FormulaC9H11Cl7
Molecular Weight367.36 g/mol
Exact Mass363.87
IUPAC Namechlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.ClC1CC1
InChIInChI=1S/C6H6Cl6.C3H5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9;4-3-1-2-3/h1-6H;3H,1-2H2
InChIKeyYZWHGGLGPXJQLS-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.36
LogP ≤ 55.03
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

1,2,3,4,5,6-hexachlorocyclohexane;iron
CID 87747584
1,2,3,4,5,6-hexachlorocyclohexane;rhenium
CID 88652983
(4-chlorocyclohexyl)sulfanium
CID 58693331
1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 57287780
1,2,3,4,5,6-hexachlorocyclodecane
CID 23497888
sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173006029
strontium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173388898
ethene;1,2,3,4,5,6-hexachlorocyclohexane
CID 22457055
1-chloro-4-(cyclopropylmethyl)cyclohexane
CID 123424415
2,3-dichlorobicyclo[2.2.1]heptane
CID 3613638
chlorocyclohexane;silane
CID 162121127
trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628

Frequently Asked Questions

What is the IUPAC name of chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane?
The IUPAC name of chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane (CID 88651642) is chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane.
What is the SMILES notation for chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane?
The canonical SMILES for chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.ClC1CC1.
What is the InChIKey of chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane?
The InChIKey is YZWHGGLGPXJQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C3H5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9;4-3-1-2-3/h1-6H;3H,1-2H2.
What are the key properties of chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane?
chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane has a molecular weight of 367.36 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane is sourced from PubChem (CID 88651642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).