1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium

C16H34O8Rf-2 — CID 177262277

IUPAC1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
SMILES[CH2-]OCC(O)CCOCCOCCC.[CH2-]OCC(O)COCCO.[Rf]
InChIInChI=1S/C10H21O4.C6H13O4.Rf/c1-3-5-13-7-8-14-6-4-10(11)9-12-2;1-9-4-6(8)5-10-3-2-7;/h10-11H,2-9H2,1H3;6-8H,1-5H2;/q2*-1;
InChIKeyIIOPQLKQYFVTDY-UHFFFAOYSA-N
MW621.44 g/mol
LogP0.15
Rot. Bonds16

About 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium

1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium (PubChem CID 177262277) has the molecular formula C16H34O8Rf-2 and a molecular weight of 621.44 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
PubChem CID177262277
Molecular FormulaC16H34O8Rf-2
Molecular Weight621.44 g/mol
Exact Mass621.35
IUPAC Name1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
SMILES[CH2-]OCC(O)CCOCCOCCC.[CH2-]OCC(O)COCCO.[Rf]
InChIInChI=1S/C10H21O4.C6H13O4.Rf/c1-3-5-13-7-8-14-6-4-10(11)9-12-2;1-9-4-6(8)5-10-3-2-7;/h10-11H,2-9H2,1H3;6-8H,1-5H2;/q2*-1;
InChIKeyIIOPQLKQYFVTDY-UHFFFAOYSA-N
XLogP0.15
TPSA106.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.44
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

4-methanidyloxybutane-1,3-diol;1-methanidyloxy-4-(4-propoxybutoxy)butan-2-ol;rutherfordium
CID 177262241
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-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
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
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-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-ethoxy-4-propoxybutan-2-ol
CID 105111761

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium?
The IUPAC name of 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium (CID 177262277) is 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium.
What is the SMILES notation for 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium?
The canonical SMILES for 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium is [CH2-]OCC(O)CCOCCOCCC.[CH2-]OCC(O)COCCO.[Rf].
What is the InChIKey of 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium?
The InChIKey is IIOPQLKQYFVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4.C6H13O4.Rf/c1-3-5-13-7-8-14-6-4-10(11)9-12-2;1-9-4-6(8)5-10-3-2-7;/h10-11H,2-9H2,1H3;6-8H,1-5H2;/q2*-1;.
What are the key properties of 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium?
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium has a molecular weight of 621.44 g/mol, XLogP of 0.15, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium is sourced from PubChem (CID 177262277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).