1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol

C12H26O6 — CID 57214605

IUPAC1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
SMILESCCCOCCOCCOCCOCC(C)(O)O
InChIInChI=1S/C12H26O6/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12(2,13)14/h13-14H,3-11H2,1-2H3
InChIKeyJQNNLUBWFBRSKE-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.16
Rot. Bonds13

About 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol

1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol (PubChem CID 57214605) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol.

Molecular Properties

Compound Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
PubChem CID57214605
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
SMILESCCCOCCOCCOCCOCC(C)(O)O
InChIInChI=1S/C12H26O6/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12(2,13)14/h13-14H,3-11H2,1-2H3
InChIKeyJQNNLUBWFBRSKE-UHFFFAOYSA-N
XLogP0.16
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

lanthanum;tris(2-methyl-1-propoxypropan-2-ol)
CID 87836481
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CID 80558596
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CID 79567363
1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
CID 20802182
2,2-dichloro-1-propoxypropane
CID 91753628
2,2-dibromo-1-propoxypropane
CID 87234864
2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
2,2-dimethoxy-1-propoxypropane
CID 56997351
1-(2-ethoxyethoxy)-2-methylpropan-2-ol
CID 20617821
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
CID 172821329

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol?
The IUPAC name of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol (CID 57214605) is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol.
What is the SMILES notation for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol?
The canonical SMILES for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol is CCCOCCOCCOCCOCC(C)(O)O.
What is the InChIKey of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol?
The InChIKey is JQNNLUBWFBRSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12(2,13)14/h13-14H,3-11H2,1-2H3.
What are the key properties of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol?
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol has a molecular weight of 266.33 g/mol, XLogP of 0.16, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol is sourced from PubChem (CID 57214605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).