1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane

C9H12Cl4O4S2 — CID 21231341

IUPAC1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane
SMILESO=S(=O)(CC1CC1(Cl)Cl)CS(=O)(=O)CC1CC1(Cl)Cl
InChIInChI=1S/C9H12Cl4O4S2/c10-8(11)1-6(8)3-18(14,15)5-19(16,17)4-7-2-9(7,12)13/h6-7H,1-5H2
InChIKeyBJZZSKFWHVKOAO-UHFFFAOYSA-N
MW390.14 g/mol
LogP2.16
Rot. Bonds6

About 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane

1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane (PubChem CID 21231341) has the molecular formula C9H12Cl4O4S2 and a molecular weight of 390.14 g/mol. Its IUPAC name is 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane
PubChem CID21231341
Molecular FormulaC9H12Cl4O4S2
Molecular Weight390.14 g/mol
Exact Mass387.89
IUPAC Name1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane
SMILESO=S(=O)(CC1CC1(Cl)Cl)CS(=O)(=O)CC1CC1(Cl)Cl
InChIInChI=1S/C9H12Cl4O4S2/c10-8(11)1-6(8)3-18(14,15)5-19(16,17)4-7-2-9(7,12)13/h6-7H,1-5H2
InChIKeyBJZZSKFWHVKOAO-UHFFFAOYSA-N
XLogP2.16
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane?
The IUPAC name of 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane (CID 21231341) is 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane.
What is the SMILES notation for 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane?
The canonical SMILES for 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane is O=S(=O)(CC1CC1(Cl)Cl)CS(=O)(=O)CC1CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane?
The InChIKey is BJZZSKFWHVKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl4O4S2/c10-8(11)1-6(8)3-18(14,15)5-19(16,17)4-7-2-9(7,12)13/h6-7H,1-5H2.
What are the key properties of 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane?
1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane has a molecular weight of 390.14 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane is sourced from PubChem (CID 21231341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).