2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol

C10H10Cl12O — CID 141280838

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol
SMILESCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C10H10Cl12O/c1-2-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-23/h23H,2-4H2,1H3
InChIKeyRRPRGAPJRKXQHX-UHFFFAOYSA-N
MW571.62 g/mol
LogP7.82
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol

2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol (PubChem CID 141280838) has the molecular formula C10H10Cl12O and a molecular weight of 571.62 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol
PubChem CID141280838
Molecular FormulaC10H10Cl12O
Molecular Weight571.62 g/mol
Exact Mass565.70
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol
SMILESCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C10H10Cl12O/c1-2-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-23/h23H,2-4H2,1H3
InChIKeyRRPRGAPJRKXQHX-UHFFFAOYSA-N
XLogP7.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.62
LogP ≤ 57.82
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 141280828
2,2,3,3,4,4,5,5-octachloroheptan-1-ol
CID 141280896
2,2,3,3,4,4,5-heptachlorodecan-1-ol
CID 141280857
2,2,3,3,4,4,5-heptachlorohexan-1-ol
CID 141280800
ethanol;tetrachloromethane
CID 23446399
2,2,3,3-tetrachlorohexanoic acid
CID 101280297
2,3-dimethyl-2-propylpentane-1,3-diol
CID 54558043
2-(chloromethyl)-2-methylpentan-1-ol
CID 55303877
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecachloro-10-methylundecane
CID 175011605
1,1,1,2,2,3,3-heptachloroundecane
CID 170849896
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
2,3-dipentyloctane-1,2,3-triol
CID 87058897

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol (CID 141280838) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol is CCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol?
The InChIKey is RRPRGAPJRKXQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl12O/c1-2-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-23/h23H,2-4H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol?
2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol has a molecular weight of 571.62 g/mol, XLogP of 7.82, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecachlorodecan-1-ol is sourced from PubChem (CID 141280838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).