1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol

C6H2Cl12O — CID 87603621

IUPAC1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol
SMILESOC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18/h1,19H
InChIKeyFHQQXQQBQOPNRT-UHFFFAOYSA-N
MW515.52 g/mol
LogP6.61
Rot. Bonds4

About 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol

1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol (PubChem CID 87603621) has the molecular formula C6H2Cl12O and a molecular weight of 515.52 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol
PubChem CID87603621
Molecular FormulaC6H2Cl12O
Molecular Weight515.52 g/mol
Exact Mass509.64
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol
SMILESOC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18/h1,19H
InChIKeyFHQQXQQBQOPNRT-UHFFFAOYSA-N
XLogP6.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.52
LogP ≤ 56.61
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

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CID 172862092
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N,N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tritetracontachloroicosan-1-amine
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CID 88923236
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecachlorohexane-1-sulfinic acid
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1,1,2,2,3,3,3-heptachloropropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol (CID 87603621) is 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol is OC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol?
The InChIKey is FHQQXQQBQOPNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18/h1,19H.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol?
1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol has a molecular weight of 515.52 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol is sourced from PubChem (CID 87603621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).