2,5-dichlorooctane

C8H16Cl2 — CID 56987607

IUPAC2,5-dichlorooctane
SMILESCCCC(Cl)CCC(C)Cl
InChIInChI=1S/C8H16Cl2/c1-3-4-8(10)6-5-7(2)9/h7-8H,3-6H2,1-2H3
InChIKeyFSQFBQMXXDUBSM-UHFFFAOYSA-N
MW183.12 g/mol
LogP3.80
Rot. Bonds5

About 2,5-dichlorooctane

2,5-dichlorooctane (PubChem CID 56987607) has the molecular formula C8H16Cl2 and a molecular weight of 183.12 g/mol. Its IUPAC name is 2,5-dichlorooctane.

Molecular Properties

Compound Name2,5-dichlorooctane
PubChem CID56987607
Molecular FormulaC8H16Cl2
Molecular Weight183.12 g/mol
Exact Mass182.06
IUPAC Name2,5-dichlorooctane
SMILESCCCC(Cl)CCC(C)Cl
InChIInChI=1S/C8H16Cl2/c1-3-4-8(10)6-5-7(2)9/h7-8H,3-6H2,1-2H3
InChIKeyFSQFBQMXXDUBSM-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 53.80
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

1,2,5-trichlorooctane
CID 20749063
2,3,6,9-tetrachlorodecane
CID 146677823
5-chloro-2-methyloctanoic acid
CID 142757050
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
2,5,6,9-tetrachlorodecane
CID 86195617
CID 150721526
CID 150721526
3-chlorohexane-1-sulfonyl chloride
CID 22111642
azane;2-chloropentadecane
CID 88746937
1,3-dichloro-1-(1,3-dichlorohexoxy)hexane
CID 56996879
2-chlorododecan-5-ol
CID 173403763
17-chlorotritriacontane
CID 87852962

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorooctane?
The IUPAC name of 2,5-dichlorooctane (CID 56987607) is 2,5-dichlorooctane.
What is the SMILES notation for 2,5-dichlorooctane?
The canonical SMILES for 2,5-dichlorooctane is CCCC(Cl)CCC(C)Cl.
What is the InChIKey of 2,5-dichlorooctane?
The InChIKey is FSQFBQMXXDUBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2/c1-3-4-8(10)6-5-7(2)9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,5-dichlorooctane?
2,5-dichlorooctane has a molecular weight of 183.12 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorooctane is sourced from PubChem (CID 56987607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).