(dichloromethane);2,2,3,3-tetrachloropropan-1-ol

C52H102Cl102O — CID 172996538

IUPAC(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.OCC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C3H4Cl4O.49CH2Cl2/c4-2(5)3(6,7)1-8;49*2-1-3/h2,8H,1H2;49*1H2
InChIKeyXOPDLBHUSXSRKZ-UHFFFAOYSA-N
MW4359.59 g/mol
LogP71.61
Rot. Bonds2

About (dichloromethane);2,2,3,3-tetrachloropropan-1-ol

(dichloromethane);2,2,3,3-tetrachloropropan-1-ol (PubChem CID 172996538) has the molecular formula C52H102Cl102O and a molecular weight of 4359.59 g/mol. Its IUPAC name is (dichloromethane);2,2,3,3-tetrachloropropan-1-ol.

Molecular Properties

Compound Name(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
PubChem CID172996538
Molecular FormulaC52H102Cl102O
Molecular Weight4359.59 g/mol
Exact Mass4309.62
IUPAC Name(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.OCC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C3H4Cl4O.49CH2Cl2/c4-2(5)3(6,7)1-8;49*2-1-3/h2,8H,1H2;49*1H2
InChIKeyXOPDLBHUSXSRKZ-UHFFFAOYSA-N
XLogP71.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004359.59
LogP ≤ 571.61
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

(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 173499864
(dichloromethane);2,2-dichloropropane-1,3-diol
CID 173248900
2,2-dichloroethanol;(dichloromethane)
CID 173081076
2,2,2-trichloroethanol
CID 8259
azane;2,2-dichloroethanol;nonakis(dichloromethane)
CID 173068778
2,2-dichloro-3,3-diethoxypropan-1-ol
CID 10998456
2,2,3,3,4,4,5-heptachlorohexan-1-ol
CID 141280800
azane;2,2,2-trichloroethanol
CID 87325391
1,1,2,2-tetrachloroethanol
CID 18356623
1,1-dichloroethane-1,2-diol
CID 18924118
(dichloromethane);3,3-dichloropentane-1,5-diol
CID 173053868
chloroform;ethanol;tetrachloromethane;hydrate
CID 174619658

Frequently Asked Questions

What is the IUPAC name of (dichloromethane);2,2,3,3-tetrachloropropan-1-ol?
The IUPAC name of (dichloromethane);2,2,3,3-tetrachloropropan-1-ol (CID 172996538) is (dichloromethane);2,2,3,3-tetrachloropropan-1-ol.
What is the SMILES notation for (dichloromethane);2,2,3,3-tetrachloropropan-1-ol?
The canonical SMILES for (dichloromethane);2,2,3,3-tetrachloropropan-1-ol is ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.OCC(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of (dichloromethane);2,2,3,3-tetrachloropropan-1-ol?
The InChIKey is XOPDLBHUSXSRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl4O.49CH2Cl2/c4-2(5)3(6,7)1-8;49*2-1-3/h2,8H,1H2;49*1H2.
What are the key properties of (dichloromethane);2,2,3,3-tetrachloropropan-1-ol?
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol has a molecular weight of 4359.59 g/mol, XLogP of 71.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dichloromethane);2,2,3,3-tetrachloropropan-1-ol is sourced from PubChem (CID 172996538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).