sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane

C18H38NaO7+ — CID 5255430

IUPACsodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane
SMILESC1COCCOCCOCCOCCOCCO1.CC(C)OC(C)C.[Na+]
InChIInChI=1S/C12H24O6.C6H14O.Na/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-5(2)7-6(3)4;/h1-12H2;5-6H,1-4H3;/q;;+1
InChIKeyMCOGABWDDNDYLL-UHFFFAOYSA-N
MW389.49 g/mol
LogP-1.08
Rot. Bonds2

About sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane

sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane (PubChem CID 5255430) has the molecular formula C18H38NaO7+ and a molecular weight of 389.49 g/mol. Its IUPAC name is sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane.

Molecular Properties

Compound Namesodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane
PubChem CID5255430
Molecular FormulaC18H38NaO7+
Molecular Weight389.49 g/mol
Exact Mass389.25
IUPAC Namesodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane
SMILESC1COCCOCCOCCOCCOCCO1.CC(C)OC(C)C.[Na+]
InChIInChI=1S/C12H24O6.C6H14O.Na/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-5(2)7-6(3)4;/h1-12H2;5-6H,1-4H3;/q;;+1
InChIKeyMCOGABWDDNDYLL-UHFFFAOYSA-N
XLogP-1.08
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 87641547
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CID 121301937
dimethoxymethoxy(dimethoxy)methane;1,4-dioxane
CID 69229879
1,4-dioxane;propan-2-ol;hydrate
CID 70303390
1,4-dioxane
CID 161483686
oxirane;propan-2-amine
CID 163631422
1,4-dioxane;trimethoxymethane
CID 18379719
bis(1,4-dioxane);N-propan-2-ylpropan-2-amine
CID 158831625
methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane
CID 174359960
2-methylpropane;oxolane
CID 70603205
12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane
CID 14205920

Frequently Asked Questions

What is the IUPAC name of sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane?
The IUPAC name of sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane (CID 5255430) is sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane.
What is the SMILES notation for sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane?
The canonical SMILES for sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane is C1COCCOCCOCCOCCOCCO1.CC(C)OC(C)C.[Na+].
What is the InChIKey of sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane?
The InChIKey is MCOGABWDDNDYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6.C6H14O.Na/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-5(2)7-6(3)4;/h1-12H2;5-6H,1-4H3;/q;;+1.
What are the key properties of sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane?
sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane has a molecular weight of 389.49 g/mol, XLogP of -1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane is sourced from PubChem (CID 5255430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).