2-chloro-1-(2-chlorohexylseleninyl)hexane

C12H24Cl2OSe — CID 134926035

IUPAC2-chloro-1-(2-chlorohexylseleninyl)hexane
SMILESCCCCC(Cl)C[Se](=O)CC(Cl)CCCC
InChIInChI=1S/C12H24Cl2OSe/c1-3-5-7-11(13)9-16(15)10-12(14)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyIBVJEGKHDGPRLN-UHFFFAOYSA-N
MW334.19 g/mol
LogP5.00
Rot. Bonds10

About 2-chloro-1-(2-chlorohexylseleninyl)hexane

2-chloro-1-(2-chlorohexylseleninyl)hexane (PubChem CID 134926035) has the molecular formula C12H24Cl2OSe and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-chloro-1-(2-chlorohexylseleninyl)hexane.

Molecular Properties

Compound Name2-chloro-1-(2-chlorohexylseleninyl)hexane
PubChem CID134926035
Molecular FormulaC12H24Cl2OSe
Molecular Weight334.19 g/mol
Exact Mass334.04
IUPAC Name2-chloro-1-(2-chlorohexylseleninyl)hexane
SMILESCCCCC(Cl)C[Se](=O)CC(Cl)CCCC
InChIInChI=1S/C12H24Cl2OSe/c1-3-5-7-11(13)9-16(15)10-12(14)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyIBVJEGKHDGPRLN-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.19
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chlorononane;phosphoric acid
CID 88768187
17-chlorotritriacontane
CID 87852962
1,5-dichlorononane
CID 57182000
3-chloroheptanamide
CID 174735984
2-chloro-1-methoxyhexane
CID 13146998
4-chlorooctylphosphonic acid
CID 87857502
3-chloroheptane-1-sulfonamide
CID 91258665
1,1-dichloropentane;gallane
CID 174452216
6-chloro-1-fluorodecane
CID 175363910
7-chloro-1-iodoundecane
CID 122491544
(3S)-3-chloro-1-methoxyheptane
CID 129365628
4-chloropentadecane
CID 63459834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chlorohexylseleninyl)hexane?
The IUPAC name of 2-chloro-1-(2-chlorohexylseleninyl)hexane (CID 134926035) is 2-chloro-1-(2-chlorohexylseleninyl)hexane.
What is the SMILES notation for 2-chloro-1-(2-chlorohexylseleninyl)hexane?
The canonical SMILES for 2-chloro-1-(2-chlorohexylseleninyl)hexane is CCCCC(Cl)C[Se](=O)CC(Cl)CCCC.
What is the InChIKey of 2-chloro-1-(2-chlorohexylseleninyl)hexane?
The InChIKey is IBVJEGKHDGPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2OSe/c1-3-5-7-11(13)9-16(15)10-12(14)8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-chloro-1-(2-chlorohexylseleninyl)hexane?
2-chloro-1-(2-chlorohexylseleninyl)hexane has a molecular weight of 334.19 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chlorohexylseleninyl)hexane is sourced from PubChem (CID 134926035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).