1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium

C20H38O9Rf-2 — CID 177262177

IUPAC1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium
SMILES[CH2-]O.[CH2-]OCC(O)COCC(COCCOC1CCCCO1)OC1CCCCO1.[Rf]
InChIInChI=1S/C19H35O8.CH3O.Rf/c1-21-12-16(20)13-23-15-17(27-19-7-3-5-9-25-19)14-22-10-11-26-18-6-2-4-8-24-18;1-2;/h16-20H,1-15H2;2H,1H2;/q2*-1;
InChIKeyLEDLKZMZHDVKIN-UHFFFAOYSA-N
MW689.51 g/mol
LogP1.79
Rot. Bonds14

About 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium

1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium (PubChem CID 177262177) has the molecular formula C20H38O9Rf-2 and a molecular weight of 689.51 g/mol. Its IUPAC name is 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium.

Molecular Properties

Compound Name1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium
PubChem CID177262177
Molecular FormulaC20H38O9Rf-2
Molecular Weight689.51 g/mol
Exact Mass689.37
IUPAC Name1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium
SMILES[CH2-]O.[CH2-]OCC(O)COCC(COCCOC1CCCCO1)OC1CCCCO1.[Rf]
InChIInChI=1S/C19H35O8.CH3O.Rf/c1-21-12-16(20)13-23-15-17(27-19-7-3-5-9-25-19)14-22-10-11-26-18-6-2-4-8-24-18;1-2;/h16-20H,1-15H2;2H,1H2;/q2*-1;
InChIKeyLEDLKZMZHDVKIN-UHFFFAOYSA-N
XLogP1.79
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
CID 177273983
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
3-[3-(2-hydroxy-3-methoxypropoxy)-2-(oxan-2-yloxy)propoxy]propanenitrile
CID 177118299
1-butoxy-2-(butoxymethyl)-3-methanidyloxy-2-(methanidyloxymethyl)propane;bis(1-methanidyloxy-3-[2-(methoxymethoxy)-5-(oxan-2-yloxy)pentoxy]propan-2-ol);bis(rutherfordium)
CID 177273961
1,3-bis(2-chloroethoxy)propan-2-ol;2-[1,3-bis(2-chloroethoxy)propan-2-yloxy]oxane;3,4-dihydro-2H-pyran
CID 163495898
2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
CID 177262162
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
3-(oxan-2-yloxy)-4-propoxybutan-1-amine
CID 23468125
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-(oxan-2-yloxy)ethoxy]ethanol;2-(2-propoxyethoxy)oxane
CID 160999917

Frequently Asked Questions

What is the IUPAC name of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium?
The IUPAC name of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium (CID 177262177) is 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium.
What is the SMILES notation for 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium?
The canonical SMILES for 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium is [CH2-]O.[CH2-]OCC(O)COCC(COCCOC1CCCCO1)OC1CCCCO1.[Rf].
What is the InChIKey of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium?
The InChIKey is LEDLKZMZHDVKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O8.CH3O.Rf/c1-21-12-16(20)13-23-15-17(27-19-7-3-5-9-25-19)14-22-10-11-26-18-6-2-4-8-24-18;1-2;/h16-20H,1-15H2;2H,1H2;/q2*-1;.
What are the key properties of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium?
1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium has a molecular weight of 689.51 g/mol, XLogP of 1.79, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium is sourced from PubChem (CID 177262177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).