1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)

C16H30O7Rf2-2 — CID 177273983

IUPAC1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
SMILESC=CCOCC(COCC(O)CO[CH2-])OC1CCCCO1.[CH2-]O.[Rf].[Rf]
InChIInChI=1S/C15H27O6.CH3O.2Rf/c1-3-7-18-11-14(12-19-10-13(16)9-17-2)21-15-6-4-5-8-20-15;1-2;;/h3,13-16H,1-2,4-12H2;2H,1H2;;/q2*-1;;
InChIKeyYDQFORUGRKSGFT-UHFFFAOYSA-N
MW868.41 g/mol
LogP1.44
Rot. Bonds12

About 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)

1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium) (PubChem CID 177273983) has the molecular formula C16H30O7Rf2-2 and a molecular weight of 868.41 g/mol. Its IUPAC name is 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium).

Molecular Properties

Compound Name1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
PubChem CID177273983
Molecular FormulaC16H30O7Rf2-2
Molecular Weight868.41 g/mol
Exact Mass868.44
IUPAC Name1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
SMILESC=CCOCC(COCC(O)CO[CH2-])OC1CCCCO1.[CH2-]O.[Rf].[Rf]
InChIInChI=1S/C15H27O6.CH3O.2Rf/c1-3-7-18-11-14(12-19-10-13(16)9-17-2)21-15-6-4-5-8-20-15;1-2;;/h3,13-16H,1-2,4-12H2;2H,1H2;;/q2*-1;;
InChIKeyYDQFORUGRKSGFT-UHFFFAOYSA-N
XLogP1.44
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500868.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium
CID 177262177
2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane
CID 160594356
2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
CID 177262162
3-[3-(2-hydroxy-3-methoxypropoxy)-2-(oxan-2-yloxy)propoxy]propanenitrile
CID 177118299
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
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)
CID 177274101
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
2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
CID 139677172
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
3-(oxan-2-yloxy)oct-7-enenitrile
CID 23468091
3-(oxan-2-yloxy)-4-propoxybutan-1-amine
CID 23468125

Frequently Asked Questions

What is the IUPAC name of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)?
The IUPAC name of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium) (CID 177273983) is 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium).
What is the SMILES notation for 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)?
The canonical SMILES for 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium) is C=CCOCC(COCC(O)CO[CH2-])OC1CCCCO1.[CH2-]O.[Rf].[Rf].
What is the InChIKey of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)?
The InChIKey is YDQFORUGRKSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O6.CH3O.2Rf/c1-3-7-18-11-14(12-19-10-13(16)9-17-2)21-15-6-4-5-8-20-15;1-2;;/h3,13-16H,1-2,4-12H2;2H,1H2;;/q2*-1;;.
What are the key properties of 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)?
1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium) has a molecular weight of 868.41 g/mol, XLogP of 1.44, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium) is sourced from PubChem (CID 177273983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).