2,10-dichlorodecane-1,1,1-triol

C10H20Cl2O3 — CID 118276052

IUPAC2,10-dichlorodecane-1,1,1-triol
SMILESOC(O)(O)C(Cl)CCCCCCCCCl
InChIInChI=1S/C10H20Cl2O3/c11-8-6-4-2-1-3-5-7-9(12)10(13,14)15/h9,13-15H,1-8H2
InChIKeyDFTHBVUXISZLMI-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.19
Rot. Bonds9

About 2,10-dichlorodecane-1,1,1-triol

2,10-dichlorodecane-1,1,1-triol (PubChem CID 118276052) has the molecular formula C10H20Cl2O3 and a molecular weight of 259.17 g/mol. Its IUPAC name is 2,10-dichlorodecane-1,1,1-triol.

Molecular Properties

Compound Name2,10-dichlorodecane-1,1,1-triol
PubChem CID118276052
Molecular FormulaC10H20Cl2O3
Molecular Weight259.17 g/mol
Exact Mass258.08
IUPAC Name2,10-dichlorodecane-1,1,1-triol
SMILESOC(O)(O)C(Cl)CCCCCCCCCl
InChIInChI=1S/C10H20Cl2O3/c11-8-6-4-2-1-3-5-7-9(12)10(13,14)15/h9,13-15H,1-8H2
InChIKeyDFTHBVUXISZLMI-UHFFFAOYSA-N
XLogP2.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,5,5,6,10-hexachlorodecane
CID 176514613
2,3,9-trichlorononane-1,1-diol
CID 118275866
10-chlorodecan-2-ol
CID 139625659
(2R)-9-chlorononan-2-ol
CID 139766902
7-chloroheptane-1,1,1-triol
CID 118276020
CID 87098051
CID 87098051
12-chloro-2-(1-chloropropyl)dodecanoic acid
CID 139755597
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
alumane;1,8-dichlorooctane
CID 173313045
1,2,15-trichloropentadecane-1-sulfonic acid
CID 87485240
methyl 2,8-dichlorooctanoate
CID 175529720
2,3,4,18-tetrachlorooctadecanoic acid
CID 118195492

Frequently Asked Questions

What is the IUPAC name of 2,10-dichlorodecane-1,1,1-triol?
The IUPAC name of 2,10-dichlorodecane-1,1,1-triol (CID 118276052) is 2,10-dichlorodecane-1,1,1-triol.
What is the SMILES notation for 2,10-dichlorodecane-1,1,1-triol?
The canonical SMILES for 2,10-dichlorodecane-1,1,1-triol is OC(O)(O)C(Cl)CCCCCCCCCl.
What is the InChIKey of 2,10-dichlorodecane-1,1,1-triol?
The InChIKey is DFTHBVUXISZLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O3/c11-8-6-4-2-1-3-5-7-9(12)10(13,14)15/h9,13-15H,1-8H2.
What are the key properties of 2,10-dichlorodecane-1,1,1-triol?
2,10-dichlorodecane-1,1,1-triol has a molecular weight of 259.17 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dichlorodecane-1,1,1-triol is sourced from PubChem (CID 118276052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).