decan-1-olate;bis(trimethylazanium);chloride

C16H41ClN2O — CID 141321168

IUPACdecan-1-olate;bis(trimethylazanium);chloride
SMILESCCCCCCCCCC[O-].C[NH+](C)C.C[NH+](C)C.[Cl-]
InChIInChI=1S/C10H21O.2C3H9N.ClH/c1-2-3-4-5-6-7-8-9-10-11;2*1-4(2)3;/h2-10H2,1H3;2*1-3H3;1H/q-1;;;/p+1
InChIKeyYRTINJYOZDTSFA-UHFFFAOYSA-O
MW312.97 g/mol
LogP-2.99
Rot. Bonds8

About decan-1-olate;bis(trimethylazanium);chloride

decan-1-olate;bis(trimethylazanium);chloride (PubChem CID 141321168) has the molecular formula C16H41ClN2O and a molecular weight of 312.97 g/mol. Its IUPAC name is decan-1-olate;bis(trimethylazanium);chloride.

Molecular Properties

Compound Namedecan-1-olate;bis(trimethylazanium);chloride
PubChem CID141321168
Molecular FormulaC16H41ClN2O
Molecular Weight312.97 g/mol
Exact Mass312.29
IUPAC Namedecan-1-olate;bis(trimethylazanium);chloride
SMILESCCCCCCCCCC[O-].C[NH+](C)C.C[NH+](C)C.[Cl-]
InChIInChI=1S/C10H21O.2C3H9N.ClH/c1-2-3-4-5-6-7-8-9-10-11;2*1-4(2)3;/h2-10H2,1H3;2*1-3H3;1H/q-1;;;/p+1
InChIKeyYRTINJYOZDTSFA-UHFFFAOYSA-O
XLogP-2.99
TPSA31.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.97
LogP ≤ 5-2.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 3015949
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CID 23324389
sodium octadecan-1-olate
CID 23689332
calcium bis(decan-1-olate)
CID 141290490
calcium bis(octan-1-olate)
CID 87749670
magnesium;butan-1-olate;octan-1-olate
CID 24942472
magnesium;ethane;hexan-1-olate
CID 140967306
aluminum;hexan-1-olate;bis(propan-2-olate)
CID 102269267
undecane chloride
CID 19736895
1-chlorooctadecane;trimethylazanium;chloride
CID 160954148
magnesium;butane;pentan-1-olate
CID 141190772
tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
CID 20838913

Frequently Asked Questions

What is the IUPAC name of decan-1-olate;bis(trimethylazanium);chloride?
The IUPAC name of decan-1-olate;bis(trimethylazanium);chloride (CID 141321168) is decan-1-olate;bis(trimethylazanium);chloride.
What is the SMILES notation for decan-1-olate;bis(trimethylazanium);chloride?
The canonical SMILES for decan-1-olate;bis(trimethylazanium);chloride is CCCCCCCCCC[O-].C[NH+](C)C.C[NH+](C)C.[Cl-].
What is the InChIKey of decan-1-olate;bis(trimethylazanium);chloride?
The InChIKey is YRTINJYOZDTSFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21O.2C3H9N.ClH/c1-2-3-4-5-6-7-8-9-10-11;2*1-4(2)3;/h2-10H2,1H3;2*1-3H3;1H/q-1;;;/p+1.
What are the key properties of decan-1-olate;bis(trimethylazanium);chloride?
decan-1-olate;bis(trimethylazanium);chloride has a molecular weight of 312.97 g/mol, XLogP of -2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-olate;bis(trimethylazanium);chloride is sourced from PubChem (CID 141321168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).