2,3-dichloronon-1-ene-1,1-diol

C9H16Cl2O2 — CID 118275967

IUPAC2,3-dichloronon-1-ene-1,1-diol
SMILESCCCCCCC(Cl)C(Cl)=C(O)O
InChIInChI=1S/C9H16Cl2O2/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7,12-13H,2-6H2,1H3
InChIKeyLTDMHQOVYJAOPD-UHFFFAOYSA-N
MW227.13 g/mol
LogP4.09
Rot. Bonds6

About 2,3-dichloronon-1-ene-1,1-diol

2,3-dichloronon-1-ene-1,1-diol (PubChem CID 118275967) has the molecular formula C9H16Cl2O2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 2,3-dichloronon-1-ene-1,1-diol.

Molecular Properties

Compound Name2,3-dichloronon-1-ene-1,1-diol
PubChem CID118275967
Molecular FormulaC9H16Cl2O2
Molecular Weight227.13 g/mol
Exact Mass226.05
IUPAC Name2,3-dichloronon-1-ene-1,1-diol
SMILESCCCCCCC(Cl)C(Cl)=C(O)O
InChIInChI=1S/C9H16Cl2O2/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7,12-13H,2-6H2,1H3
InChIKeyLTDMHQOVYJAOPD-UHFFFAOYSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chlorooctadecanoyl chloride
CID 20512617
decane;hypochlorous acid
CID 88775425
1-chlorohexadecan-1-ol
CID 87967130
9-chlorooctadecan-8-one
CID 54543005
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
17-chlorotritriacontane
CID 87852962
1,1-dichloroheptane
CID 13184
5,8-dichlorododecane-6,7-dione
CID 140986134
hexane;hypochlorous acid
CID 88775298
chloromethyl 2-chlorodecanoate
CID 543259
3-chloro-1,1,1-trifluorohexadecan-2-one
CID 18325945

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloronon-1-ene-1,1-diol?
The IUPAC name of 2,3-dichloronon-1-ene-1,1-diol (CID 118275967) is 2,3-dichloronon-1-ene-1,1-diol.
What is the SMILES notation for 2,3-dichloronon-1-ene-1,1-diol?
The canonical SMILES for 2,3-dichloronon-1-ene-1,1-diol is CCCCCCC(Cl)C(Cl)=C(O)O.
What is the InChIKey of 2,3-dichloronon-1-ene-1,1-diol?
The InChIKey is LTDMHQOVYJAOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2O2/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7,12-13H,2-6H2,1H3.
What are the key properties of 2,3-dichloronon-1-ene-1,1-diol?
2,3-dichloronon-1-ene-1,1-diol has a molecular weight of 227.13 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloronon-1-ene-1,1-diol is sourced from PubChem (CID 118275967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).