4,5-dichlorodecane-1,3,6,10-tetrol

C10H20Cl2O4 — CID 19107662

IUPAC4,5-dichlorodecane-1,3,6,10-tetrol
SMILESOCCCCC(O)C(Cl)C(Cl)C(O)CCO
InChIInChI=1S/C10H20Cl2O4/c11-9(7(15)3-1-2-5-13)10(12)8(16)4-6-14/h7-10,13-16H,1-6H2
InChIKeyMYKWICPIDDQAAF-UHFFFAOYSA-N
MW275.17 g/mol
LogP0.47
Rot. Bonds9

About 4,5-dichlorodecane-1,3,6,10-tetrol

4,5-dichlorodecane-1,3,6,10-tetrol (PubChem CID 19107662) has the molecular formula C10H20Cl2O4 and a molecular weight of 275.17 g/mol. Its IUPAC name is 4,5-dichlorodecane-1,3,6,10-tetrol.

Molecular Properties

Compound Name4,5-dichlorodecane-1,3,6,10-tetrol
PubChem CID19107662
Molecular FormulaC10H20Cl2O4
Molecular Weight275.17 g/mol
Exact Mass274.07
IUPAC Name4,5-dichlorodecane-1,3,6,10-tetrol
SMILESOCCCCC(O)C(Cl)C(Cl)C(O)CCO
InChIInChI=1S/C10H20Cl2O4/c11-9(7(15)3-1-2-5-13)10(12)8(16)4-6-14/h7-10,13-16H,1-6H2
InChIKeyMYKWICPIDDQAAF-UHFFFAOYSA-N
XLogP0.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tridecane-1,4,5,13-tetrol
CID 57164237
5-chlorononane-1,9-diol
CID 87402424
4,4-dichlorobutane-1,3-diol
CID 22137487
nonane-1,2,3,9-tetrol
CID 87488161
6-chloro-5-(3-hydroxypropyl)octane-1,4,8-triol
CID 123578018
1-aminoheptane-1,2,7-triol
CID 87845993
nonane-1,5,6-triol
CID 174941867
9-methyldecane-1,8-diol
CID 107094660
7-methyloctane-1,6-diol
CID 54253773
sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid
CID 174758233
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorodecane-1,3,6,10-tetrol?
The IUPAC name of 4,5-dichlorodecane-1,3,6,10-tetrol (CID 19107662) is 4,5-dichlorodecane-1,3,6,10-tetrol.
What is the SMILES notation for 4,5-dichlorodecane-1,3,6,10-tetrol?
The canonical SMILES for 4,5-dichlorodecane-1,3,6,10-tetrol is OCCCCC(O)C(Cl)C(Cl)C(O)CCO.
What is the InChIKey of 4,5-dichlorodecane-1,3,6,10-tetrol?
The InChIKey is MYKWICPIDDQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O4/c11-9(7(15)3-1-2-5-13)10(12)8(16)4-6-14/h7-10,13-16H,1-6H2.
What are the key properties of 4,5-dichlorodecane-1,3,6,10-tetrol?
4,5-dichlorodecane-1,3,6,10-tetrol has a molecular weight of 275.17 g/mol, XLogP of 0.47, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorodecane-1,3,6,10-tetrol is sourced from PubChem (CID 19107662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).