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)

C47H92O18Rf2-4 — CID 177273961

IUPAC1-butoxy-2-(butoxymethyl)-3-methanidyloxy-2-(methanidyloxymethyl)propane;bis(1-methanidyloxy-3-[2-(methoxymethoxy)-5-(oxan-2-yloxy)pentoxy]propan-2-ol);bis(rutherfordium)
SMILES[CH2-]OCC(CO[CH2-])(COCCCC)COCCCC.[CH2-]OCC(O)COCC(CCCOC1CCCCO1)OCOC.[CH2-]OCC(O)COCC(CCCOC1CCCCO1)OCOC.[Rf].[Rf]
InChIInChI=1S/2C16H31O7.C15H30O4.2Rf/c2*1-18-10-14(17)11-20-12-15(23-13-19-2)6-5-9-22-16-7-3-4-8-21-16;1-5-7-9-18-13-15(11-16-3,12-17-4)14-19-10-8-6-2;;/h2*14-17H,1,3-13H2,2H3;3-14H2,1-2H3;;/q2*-1;-2;;
InChIKeyBQGLKCAPQSZMER-UHFFFAOYSA-N
MW1479.24 g/mol
LogP6.19
Rot. Bonds42

About 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)

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) (PubChem CID 177273961) has the molecular formula C47H92O18Rf2-4 and a molecular weight of 1479.24 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-butoxy-2-(butoxymethyl)-3-methanidyloxy-2-(methanidyloxymethyl)propane;bis(1-methanidyloxy-3-[2-(methoxymethoxy)-5-(oxan-2-yloxy)pentoxy]propan-2-ol);bis(rutherfordium)
PubChem CID177273961
Molecular FormulaC47H92O18Rf2-4
Molecular Weight1479.24 g/mol
Exact Mass1478.87
IUPAC Name1-butoxy-2-(butoxymethyl)-3-methanidyloxy-2-(methanidyloxymethyl)propane;bis(1-methanidyloxy-3-[2-(methoxymethoxy)-5-(oxan-2-yloxy)pentoxy]propan-2-ol);bis(rutherfordium)
SMILES[CH2-]OCC(CO[CH2-])(COCCCC)COCCCC.[CH2-]OCC(O)COCC(CCCOC1CCCCO1)OCOC.[CH2-]OCC(O)COCC(CCCOC1CCCCO1)OCOC.[Rf].[Rf]
InChIInChI=1S/2C16H31O7.C15H30O4.2Rf/c2*1-18-10-14(17)11-20-12-15(23-13-19-2)6-5-9-22-16-7-3-4-8-21-16;1-5-7-9-18-13-15(11-16-3,12-17-4)14-19-10-8-6-2;;/h2*14-17H,1,3-13H2,2H3;3-14H2,1-2H3;;/q2*-1;-2;;
InChIKeyBQGLKCAPQSZMER-UHFFFAOYSA-N
XLogP6.19
TPSA188.14 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001479.24
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium
CID 177262177
2-[(4R)-4-(methoxymethoxy)octadec-9-ynoxy]oxane
CID 102157587
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
CID 166567769
1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
CID 177273983
2-octacosoxyoxane
CID 11214102
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-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
CID 125494842
2-(10-bromotetradecoxy)oxane
CID 23365986
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is [CH2-]OCC(CO[CH2-])(COCCCC)COCCCC.[CH2-]OCC(O)COCC(CCCOC1CCCCO1)OCOC.[CH2-]OCC(O)COCC(CCCOC1CCCCO1)OCOC.[Rf].[Rf].
What is the InChIKey of 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)?
The InChIKey is BQGLKCAPQSZMER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H31O7.C15H30O4.2Rf/c2*1-18-10-14(17)11-20-12-15(23-13-19-2)6-5-9-22-16-7-3-4-8-21-16;1-5-7-9-18-13-15(11-16-3,12-17-4)14-19-10-8-6-2;;/h2*14-17H,1,3-13H2,2H3;3-14H2,1-2H3;;/q2*-1;-2;;.
What are the key properties of 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)?
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) has a molecular weight of 1479.24 g/mol, XLogP of 6.19, 42 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 177273961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).