1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium

C10H21O3Y- — CID 59660846

IUPAC1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium
SMILES[CH2-]OCCCCOCCCOCC.[Y]
InChIInChI=1S/C10H21O3.Y/c1-3-12-9-6-10-13-8-5-4-7-11-2;/h2-10H2,1H3;/q-1;
InChIKeyGRWSZDAIYNXRNA-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.02
Rot. Bonds10

About 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium

1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium (PubChem CID 59660846) has the molecular formula C10H21O3Y- and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium.

Molecular Properties

Compound Name1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium
PubChem CID59660846
Molecular FormulaC10H21O3Y-
Molecular Weight278.18 g/mol
Exact Mass278.06
IUPAC Name1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium
SMILES[CH2-]OCCCCOCCCOCC.[Y]
InChIInChI=1S/C10H21O3.Y/c1-3-12-9-6-10-13-8-5-4-7-11-2;/h2-10H2,1H3;/q-1;
InChIKeyGRWSZDAIYNXRNA-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-(3-ethoxypropoxy)tetradecane
CID 91693148
pentakis(3-ethoxypropoxy)-λ5-stibane
CID 139727092
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
CID 165051795
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
4-ethoxybutoxymethanamine
CID 87914089
4-ethoxybutoxymethanethiol
CID 87914042
3-ethoxypropoxyphosphane
CID 57317096
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium?
The IUPAC name of 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium (CID 59660846) is 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium.
What is the SMILES notation for 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium?
The canonical SMILES for 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium is [CH2-]OCCCCOCCCOCC.[Y].
What is the InChIKey of 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium?
The InChIKey is GRWSZDAIYNXRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3.Y/c1-3-12-9-6-10-13-8-5-4-7-11-2;/h2-10H2,1H3;/q-1;.
What are the key properties of 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium?
1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium has a molecular weight of 278.18 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium is sourced from PubChem (CID 59660846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).