1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane

C12H24Cl2O2S — CID 87296418

IUPAC1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane
SMILESCCCCC(CCl)S(=O)(=O)C(CCl)CCCC
InChIInChI=1S/C12H24Cl2O2S/c1-3-5-7-11(9-13)17(15,16)12(10-14)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyVFSLQZCDVFMASJ-UHFFFAOYSA-N
MW303.30 g/mol
LogP4.00
Rot. Bonds10

About 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane

1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane (PubChem CID 87296418) has the molecular formula C12H24Cl2O2S and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane.

Molecular Properties

Compound Name1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane
PubChem CID87296418
Molecular FormulaC12H24Cl2O2S
Molecular Weight303.30 g/mol
Exact Mass302.09
IUPAC Name1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane
SMILESCCCCC(CCl)S(=O)(=O)C(CCl)CCCC
InChIInChI=1S/C12H24Cl2O2S/c1-3-5-7-11(9-13)17(15,16)12(10-14)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyVFSLQZCDVFMASJ-UHFFFAOYSA-N
XLogP4.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane?
The IUPAC name of 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane (CID 87296418) is 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane.
What is the SMILES notation for 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane?
The canonical SMILES for 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane is CCCCC(CCl)S(=O)(=O)C(CCl)CCCC.
What is the InChIKey of 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane?
The InChIKey is VFSLQZCDVFMASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2O2S/c1-3-5-7-11(9-13)17(15,16)12(10-14)8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane?
1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane has a molecular weight of 303.30 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chlorohexan-2-ylsulfonyl)hexane is sourced from PubChem (CID 87296418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).