2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)

C31H60O14Rf4-4 — CID 177274017

IUPAC2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)
SMILESC=CCCOCC(O)COCCC(O)CO[CH2-].C=CCCOCC(O)COCCC(O)CO[CH2-].[CH2-]OCC(CO)(CO)CO[CH2-].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/2C12H23O5.C7H14O4.4Rf/c2*1-3-4-6-16-9-12(14)10-17-7-5-11(13)8-15-2;1-10-5-7(3-8,4-9)6-11-2;;;;/h2*3,11-14H,1-2,4-10H2;8-9H,1-6H2;;;;/q2*-1;-2;;;;
InChIKeyRWUQCSAAYXGRBH-UHFFFAOYSA-N
MW1724.81 g/mol
LogP0.61
Rot. Bonds30

About 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)

2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium) (PubChem CID 177274017) has the molecular formula C31H60O14Rf4-4 and a molecular weight of 1724.81 g/mol. Its IUPAC name is 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium).

Molecular Properties

Compound Name2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)
PubChem CID177274017
Molecular FormulaC31H60O14Rf4-4
Molecular Weight1724.81 g/mol
Exact Mass1724.89
IUPAC Name2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)
SMILESC=CCCOCC(O)COCCC(O)CO[CH2-].C=CCCOCC(O)COCCC(O)CO[CH2-].[CH2-]OCC(CO)(CO)CO[CH2-].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/2C12H23O5.C7H14O4.4Rf/c2*1-3-4-6-16-9-12(14)10-17-7-5-11(13)8-15-2;1-10-5-7(3-8,4-9)6-11-2;;;;/h2*3,11-14H,1-2,4-10H2;8-9H,1-6H2;;;;/q2*-1;-2;;;;
InChIKeyRWUQCSAAYXGRBH-UHFFFAOYSA-N
XLogP0.61
TPSA195.22 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.81
LogP ≤ 50.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

4-(3-But-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol
CID 158711235
1-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-4-en-2-ol
CID 87081278
2-[2-(Hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol;methane;prop-1-ene
CID 157391507
1-But-3-enoxybutan-2-ol;tris(3-[2-but-3-enoxy-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol);tetrakis(1-(3-but-3-enoxy-2-hydroxypropoxy)butan-2-ol)
CID 160690729
But-1-ene-1,4-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propane-1,2-diol;propane-1,2,3-triol
CID 161043101
4-(3-But-3-enoxy-2-hydroxypropoxy)-1-methoxybutan-2-ol
CID 177273968
Bis(2,2-bis(methanidyloxymethyl)propane-1,3-diol);bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);hexakis(rutherfordium)
CID 177274023

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)?
The IUPAC name of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium) (CID 177274017) is 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium).
What is the SMILES notation for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)?
The canonical SMILES for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium) is C=CCCOCC(O)COCCC(O)CO[CH2-].C=CCCOCC(O)COCCC(O)CO[CH2-].[CH2-]OCC(CO)(CO)CO[CH2-].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)?
The InChIKey is RWUQCSAAYXGRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23O5.C7H14O4.4Rf/c2*1-3-4-6-16-9-12(14)10-17-7-5-11(13)8-15-2;1-10-5-7(3-8,4-9)6-11-2;;;;/h2*3,11-14H,1-2,4-10H2;8-9H,1-6H2;;;;/q2*-1;-2;;;;.
What are the key properties of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium)?
2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium) has a molecular weight of 1724.81 g/mol, XLogP of 0.61, 30 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(4-(3-but-3-enoxy-2-hydroxypropoxy)-1-methanidyloxybutan-2-ol);tetrakis(rutherfordium) is sourced from PubChem (CID 177274017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).