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

C6H7Cl7O — CID 141280800

IUPAC2,2,3,3,4,4,5-heptachlorohexan-1-ol
SMILESCC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C6H7Cl7O/c1-3(7)5(10,11)6(12,13)4(8,9)2-14/h3,14H,2H2,1H3
InChIKeyHQCBUEFCOAPZGT-UHFFFAOYSA-N
MW343.29 g/mol
LogP4.13
Rot. Bonds4

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

2,2,3,3,4,4,5-heptachlorohexan-1-ol (PubChem CID 141280800) has the molecular formula C6H7Cl7O and a molecular weight of 343.29 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptachlorohexan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptachlorohexan-1-ol
PubChem CID141280800
Molecular FormulaC6H7Cl7O
Molecular Weight343.29 g/mol
Exact Mass339.83
IUPAC Name2,2,3,3,4,4,5-heptachlorohexan-1-ol
SMILESCC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C6H7Cl7O/c1-3(7)5(10,11)6(12,13)4(8,9)2-14/h3,14H,2H2,1H3
InChIKeyHQCBUEFCOAPZGT-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 54.13
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-heptachlorodecan-1-ol
CID 141280857
2,2,3,3,4,4,5,5-octachloroheptan-1-ol
CID 141280896
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
1,1,1,2-tetrachloropropane
CID 87557158
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 173499864
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 172996538
3,3,4-trichloropent-1-ene-1,1,2-triol
CID 118276167
chloroform;ethanol;tetrachloromethane;hydrate
CID 174619658
2,2,2-trichloroethanol
CID 8259
chloroform;2-methylpropan-1-ol
CID 22625576
chloroform;propane-1,2-diol
CID 159626759

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptachlorohexan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5-heptachlorohexan-1-ol (CID 141280800) is 2,2,3,3,4,4,5-heptachlorohexan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5-heptachlorohexan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5-heptachlorohexan-1-ol is CC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO.
What is the InChIKey of 2,2,3,3,4,4,5-heptachlorohexan-1-ol?
The InChIKey is HQCBUEFCOAPZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl7O/c1-3(7)5(10,11)6(12,13)4(8,9)2-14/h3,14H,2H2,1H3.
What are the key properties of 2,2,3,3,4,4,5-heptachlorohexan-1-ol?
2,2,3,3,4,4,5-heptachlorohexan-1-ol has a molecular weight of 343.29 g/mol, XLogP of 4.13, 4 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-heptachlorohexan-1-ol is sourced from PubChem (CID 141280800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).