potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide

C53H119KO10 — CID 158486062

IUPACpotassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
SMILESC.CCCCCC(CCC)COCCO.CCCCCC(CO)CCC.CCCCCCCCCCCCO.CCCCCCCCCCCCOCCO.OCCOCCO.[K+].[OH-]
InChIInChI=1S/C14H30O2.C12H26O2.C12H26O.C10H22O.C4H10O3.CH4.K.H2O/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15;1-3-5-6-8-12(7-4-2)11-14-10-9-13;1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-6-8-10(9-11)7-4-2;5-1-3-7-4-2-6;;;/h15H,2-14H2,1H3;12-13H,3-11H2,1-2H3;13H,2-12H2,1H3;10-11H,3-9H2,1-2H3;5-6H,1-4H2;1H4;;1H2/q;;;;;;+1;/p-1
InChIKeyHICOKDYASJTWFT-UHFFFAOYSA-M
MW955.62 g/mol
LogP10.23
Rot. Bonds44

About potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide

potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide (PubChem CID 158486062) has the molecular formula C53H119KO10 and a molecular weight of 955.62 g/mol. Its IUPAC name is potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide.

Molecular Properties

Compound Namepotassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
PubChem CID158486062
Molecular FormulaC53H119KO10
Molecular Weight955.62 g/mol
Exact Mass954.84
IUPAC Namepotassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
SMILESC.CCCCCC(CCC)COCCO.CCCCCC(CO)CCC.CCCCCCCCCCCCO.CCCCCCCCCCCCOCCO.OCCOCCO.[K+].[OH-]
InChIInChI=1S/C14H30O2.C12H26O2.C12H26O.C10H22O.C4H10O3.CH4.K.H2O/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15;1-3-5-6-8-12(7-4-2)11-14-10-9-13;1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-6-8-10(9-11)7-4-2;5-1-3-7-4-2-6;;;/h15H,2-14H2,1H3;12-13H,3-11H2,1-2H3;13H,2-12H2,1H3;10-11H,3-9H2,1-2H3;5-6H,1-4H2;1H4;;1H2/q;;;;;;+1;/p-1
InChIKeyHICOKDYASJTWFT-UHFFFAOYSA-M
XLogP10.23
TPSA179.07 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds44
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.62
LogP ≤ 510.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
CID 158459561
2-(2-propylnonoxy)ethanol
CID 168837428
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
4-[4-(2-ethylpentoxy)butoxy]butan-1-ol
CID 90192987
2-(decoxymethyl)propane-1,3-diol
CID 138675067
4-(butoxymethyl)nonane
CID 87066766
2-decylhexane-1,6-diol
CID 141462709
(2S)-2-propylheptane-1,7-diol
CID 118890038
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982

Frequently Asked Questions

What is the IUPAC name of potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide?
The IUPAC name of potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide (CID 158486062) is potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide.
What is the SMILES notation for potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide?
The canonical SMILES for potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide is C.CCCCCC(CCC)COCCO.CCCCCC(CO)CCC.CCCCCCCCCCCCO.CCCCCCCCCCCCOCCO.OCCOCCO.[K+].[OH-].
What is the InChIKey of potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide?
The InChIKey is HICOKDYASJTWFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30O2.C12H26O2.C12H26O.C10H22O.C4H10O3.CH4.K.H2O/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15;1-3-5-6-8-12(7-4-2)11-14-10-9-13;1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-6-8-10(9-11)7-4-2;5-1-3-7-4-2-6;;;/h15H,2-14H2,1H3;12-13H,3-11H2,1-2H3;13H,2-12H2,1H3;10-11H,3-9H2,1-2H3;5-6H,1-4H2;1H4;;1H2/q;;;;;;+1;/p-1.
What are the key properties of potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide?
potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide has a molecular weight of 955.62 g/mol, XLogP of 10.23, 44 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide is sourced from PubChem (CID 158486062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).