2,2,3,3,4,4,5,5-octachloroheptan-1-ol

C7H8Cl8O — CID 141280896

IUPAC2,2,3,3,4,4,5,5-octachloroheptan-1-ol
SMILESCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C7H8Cl8O/c1-2-4(8,9)6(12,13)7(14,15)5(10,11)3-16/h16H,2-3H2,1H3
InChIKeyNIPHTUJAISMOSX-UHFFFAOYSA-N
MW391.76 g/mol
LogP5.08
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octachloroheptan-1-ol

2,2,3,3,4,4,5,5-octachloroheptan-1-ol (PubChem CID 141280896) has the molecular formula C7H8Cl8O and a molecular weight of 391.76 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octachloroheptan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octachloroheptan-1-ol
PubChem CID141280896
Molecular FormulaC7H8Cl8O
Molecular Weight391.76 g/mol
Exact Mass387.81
IUPAC Name2,2,3,3,4,4,5,5-octachloroheptan-1-ol
SMILESCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C7H8Cl8O/c1-2-4(8,9)6(12,13)7(14,15)5(10,11)3-16/h16H,2-3H2,1H3
InChIKeyNIPHTUJAISMOSX-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.76
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol
CID 141280838
2,2,3,3,4,4,5,5-octachlorodecan-1-ol
CID 141280828
2,2,3,3,4,4,5-heptachlorohexan-1-ol
CID 141280800
1,1,1,2,2-pentachlorobutane
CID 14833469
ethanol;tetrachloromethane
CID 23446399
methanol;1,1,1-trichloropropane
CID 160733692
1,2,2-trichloro-1,1-difluorobutane
CID 21119103
2,2,2-trichloroethanol
CID 8259
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
2-chloro-2-methylbutane;methanol
CID 88619841
2,2-bis(trideuteriomethyl)butan-1-ol
CID 45039770
1-chloro-1-iodopropan-1-ol
CID 23322646

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octachloroheptan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5-octachloroheptan-1-ol (CID 141280896) is 2,2,3,3,4,4,5,5-octachloroheptan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octachloroheptan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5-octachloroheptan-1-ol is CCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5-octachloroheptan-1-ol?
The InChIKey is NIPHTUJAISMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl8O/c1-2-4(8,9)6(12,13)7(14,15)5(10,11)3-16/h16H,2-3H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octachloroheptan-1-ol?
2,2,3,3,4,4,5,5-octachloroheptan-1-ol has a molecular weight of 391.76 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octachloroheptan-1-ol is sourced from PubChem (CID 141280896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).