potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide

C81H163Br3Cl5KO19 — CID 159358351

IUPACpotassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide
SMILESCC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)CCCCCBr.CC(C)(C)OC(=O)CCCCCOCCCCCOCCCCCCCl.CC(C)(C)OC(=O)COCCOCCCCCCCl.ClCCCCCCBr.OCCCCCO.OCCCCCOCCCCCCCl.OCCOCCCCCCCl.[K+].[OH-]
InChIInChI=1S/C21H41ClO4.C14H27ClO4.C11H23ClO2.C10H19BrO2.C8H17ClO2.C6H12BrCl.C6H11BrO2.C5H12O2.K.H2O/c1-21(2,3)26-20(23)14-8-6-11-17-25-19-13-7-12-18-24-16-10-5-4-9-15-22;1-14(2,3)19-13(16)12-18-11-10-17-9-7-5-4-6-8-15;12-8-4-1-2-6-10-14-11-7-3-5-9-13;1-10(2,3)13-9(12)7-5-4-6-8-11;9-5-3-1-2-4-7-11-8-6-10;7-5-3-1-2-4-6-8;1-6(2,3)9-5(8)4-7;6-4-2-1-3-5-7;;/h4-19H2,1-3H3;4-12H2,1-3H3;13H,1-11H2;4-8H2,1-3H3;10H,1-8H2;1-6H2;4H2,1-3H3;6-7H,1-5H2;;1H2/q;;;;;;;;+1;/p-1
InChIKeyLIFBZULAUXDBRD-UHFFFAOYSA-M
MW1897.25 g/mol
LogP18.97
Rot. Bonds63

About potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide

potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide (PubChem CID 159358351) has the molecular formula C81H163Br3Cl5KO19 and a molecular weight of 1897.25 g/mol. Its IUPAC name is potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide.

Molecular Properties

Compound Namepotassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide
PubChem CID159358351
Molecular FormulaC81H163Br3Cl5KO19
Molecular Weight1897.25 g/mol
Exact Mass1890.74
IUPAC Namepotassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide
SMILESCC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)CCCCCBr.CC(C)(C)OC(=O)CCCCCOCCCCCOCCCCCCCl.CC(C)(C)OC(=O)COCCOCCCCCCCl.ClCCCCCCBr.OCCCCCO.OCCCCCOCCCCCCCl.OCCOCCCCCCCl.[K+].[OH-]
InChIInChI=1S/C21H41ClO4.C14H27ClO4.C11H23ClO2.C10H19BrO2.C8H17ClO2.C6H12BrCl.C6H11BrO2.C5H12O2.K.H2O/c1-21(2,3)26-20(23)14-8-6-11-17-25-19-13-7-12-18-24-16-10-5-4-9-15-22;1-14(2,3)19-13(16)12-18-11-10-17-9-7-5-4-6-8-15;12-8-4-1-2-6-10-14-11-7-3-5-9-13;1-10(2,3)13-9(12)7-5-4-6-8-11;9-5-3-1-2-4-7-11-8-6-10;7-5-3-1-2-4-6-8;1-6(2,3)9-5(8)4-7;6-4-2-1-3-5-7;;/h4-19H2,1-3H3;4-12H2,1-3H3;13H,1-11H2;4-8H2,1-3H3;10H,1-8H2;1-6H2;4H2,1-3H3;6-7H,1-5H2;;1H2/q;;;;;;;;+1;/p-1
InChIKeyLIFBZULAUXDBRD-UHFFFAOYSA-M
XLogP18.97
TPSA271.50 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds63
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001897.25
LogP ≤ 518.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide with MolForge

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Related Compounds

tert-butyl 5-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]pentanoate
CID 129086852
tert-butyl 3-(6-bromohexoxy)propanoate
CID 165436316
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
tert-butyl 2-[5-(2-hydroxyethoxy)pentoxy]acetate;tert-butyl 2-(5-propoxypentoxy)acetate
CID 160990095
tert-butyl 12-chlorododecanoate
CID 155893322
tert-butyl 18-chlorooctadecanoate
CID 155896070
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
acetonitrile;6-bromohexan-1-ol;tert-butyl 3-(6-bromohexoxy)propanoate;tert-butyl prop-2-enoate;methane
CID 167661793
2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid
CID 167705812
tert-butyl 6-[2-(2-hydroperoxyethoxy)ethoxy]hexanoate
CID 87242524
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 6-(4-pentoxybutoxy)hexanoate
CID 135210268

Frequently Asked Questions

What is the IUPAC name of potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide?
The IUPAC name of potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide (CID 159358351) is potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide.
What is the SMILES notation for potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide?
The canonical SMILES for potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide is CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)CCCCCBr.CC(C)(C)OC(=O)CCCCCOCCCCCOCCCCCCCl.CC(C)(C)OC(=O)COCCOCCCCCCCl.ClCCCCCCBr.OCCCCCO.OCCCCCOCCCCCCCl.OCCOCCCCCCCl.[K+].[OH-].
What is the InChIKey of potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide?
The InChIKey is LIFBZULAUXDBRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H41ClO4.C14H27ClO4.C11H23ClO2.C10H19BrO2.C8H17ClO2.C6H12BrCl.C6H11BrO2.C5H12O2.K.H2O/c1-21(2,3)26-20(23)14-8-6-11-17-25-19-13-7-12-18-24-16-10-5-4-9-15-22;1-14(2,3)19-13(16)12-18-11-10-17-9-7-5-4-6-8-15;12-8-4-1-2-6-10-14-11-7-3-5-9-13;1-10(2,3)13-9(12)7-5-4-6-8-11;9-5-3-1-2-4-7-11-8-6-10;7-5-3-1-2-4-6-8;1-6(2,3)9-5(8)4-7;6-4-2-1-3-5-7;;/h4-19H2,1-3H3;4-12H2,1-3H3;13H,1-11H2;4-8H2,1-3H3;10H,1-8H2;1-6H2;4H2,1-3H3;6-7H,1-5H2;;1H2/q;;;;;;;;+1;/p-1.
What are the key properties of potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide?
potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide has a molecular weight of 1897.25 g/mol, XLogP of 18.97, 63 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-bromo-6-chlorohexane;tert-butyl 2-bromoacetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[2-(6-chlorohexoxy)ethoxy]acetate;tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate;2-(6-chlorohexoxy)ethanol;5-(6-chlorohexoxy)pentan-1-ol;pentane-1,5-diol;hydroxide is sourced from PubChem (CID 159358351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).