1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)

C27H56O15Rf2-4 — CID 177262254

IUPAC1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)
SMILES[CH2-]OCC(O)C(C)OCCO.[CH2-]OCC(O)CCOCC(O)C(C)OCCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[Rf].[Rf]
InChIInChI=1S/C14H28O7.C7H15O4.C6H13O4.2Rf/c1-11(21-7-5-13(16)9-19-3)14(17)10-20-6-4-12(15)8-18-2;1-6(11-4-3-8)7(9)5-10-2;1-9-4-6(8)5-10-3-2-7;;/h11-17H,2-10H2,1H3;6-9H,2-5H2,1H3;6-8H,1-5H2;;/q-2;2*-1;;
InChIKeyOSROKTWCCSEORQ-UHFFFAOYSA-N
MW1154.73 g/mol
LogP-1.40
Rot. Bonds26

About 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)

1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium) (PubChem CID 177262254) has the molecular formula C27H56O15Rf2-4 and a molecular weight of 1154.73 g/mol. Its IUPAC name is 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium).

Molecular Properties

Compound Name1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)
PubChem CID177262254
Molecular FormulaC27H56O15Rf2-4
Molecular Weight1154.73 g/mol
Exact Mass1154.61
IUPAC Name1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)
SMILES[CH2-]OCC(O)C(C)OCCO.[CH2-]OCC(O)CCOCC(O)C(C)OCCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[Rf].[Rf]
InChIInChI=1S/C14H28O7.C7H15O4.C6H13O4.2Rf/c1-11(21-7-5-13(16)9-19-3)14(17)10-20-6-4-12(15)8-18-2;1-6(11-4-3-8)7(9)5-10-2;1-9-4-6(8)5-10-3-2-7;;/h11-17H,2-10H2,1H3;6-9H,2-5H2,1H3;6-8H,1-5H2;;/q-2;2*-1;;
InChIKeyOSROKTWCCSEORQ-UHFFFAOYSA-N
XLogP-1.40
TPSA215.45 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001154.73
LogP ≤ 5-1.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

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

bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
CID 177273638
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
CID 177262277
1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274110
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
CID 177273686
1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)
CID 177274075
1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
CID 177274071
4-methanidyloxybutane-1,3-diol;1-methanidyloxy-4-(4-propoxybutoxy)butan-2-ol;rutherfordium
CID 177262241
3-(4-hydroxy-5-methanidyloxypentoxy)propane-1,2-diol;3-(2-hydroxy-3-methanidyloxypropoxy)propane-1,2-diol;1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;bis(rutherfordium)
CID 177273647
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)?
The IUPAC name of 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium) (CID 177262254) is 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium).
What is the SMILES notation for 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)?
The canonical SMILES for 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium) is [CH2-]OCC(O)C(C)OCCO.[CH2-]OCC(O)CCOCC(O)C(C)OCCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[Rf].[Rf].
What is the InChIKey of 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)?
The InChIKey is OSROKTWCCSEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7.C7H15O4.C6H13O4.2Rf/c1-11(21-7-5-13(16)9-19-3)14(17)10-20-6-4-12(15)8-18-2;1-6(11-4-3-8)7(9)5-10-2;1-9-4-6(8)5-10-3-2-7;;/h11-17H,2-10H2,1H3;6-9H,2-5H2,1H3;6-8H,1-5H2;;/q-2;2*-1;;.
What are the key properties of 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)?
1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium) has a molecular weight of 1154.73 g/mol, XLogP of -1.40, 26 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium) is sourced from PubChem (CID 177262254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).