carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)

C11H26O4Zr — CID 87744563

IUPACcarbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)
SMILESCCO.CCO.[CH2-]CCOCC1CO1.[CH3-].[Zr+2]
InChIInChI=1S/C6H11O2.2C2H6O.CH3.Zr/c1-2-3-7-4-6-5-8-6;2*1-2-3;;/h6H,1-5H2;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2
InChIKeySBSZBTICFSXAPL-UHFFFAOYSA-N
MW313.55 g/mol
LogP1.07
Rot. Bonds4

About carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)

carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+) (PubChem CID 87744563) has the molecular formula C11H26O4Zr and a molecular weight of 313.55 g/mol. Its IUPAC name is carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+).

Molecular Properties

Compound Namecarbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)
PubChem CID87744563
Molecular FormulaC11H26O4Zr
Molecular Weight313.55 g/mol
Exact Mass312.09
IUPAC Namecarbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)
SMILESCCO.CCO.[CH2-]CCOCC1CO1.[CH3-].[Zr+2]
InChIInChI=1S/C6H11O2.2C2H6O.CH3.Zr/c1-2-3-7-4-6-5-8-6;2*1-2-3;;/h6H,1-5H2;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2
InChIKeySBSZBTICFSXAPL-UHFFFAOYSA-N
XLogP1.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.55
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
2-(propoxymethyl)oxirane
CID 18406
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
2-(pentoxymethyl)oxirane
CID 160890113
CID 166063430
CID 166063430
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537

Frequently Asked Questions

What is the IUPAC name of carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)?
The IUPAC name of carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+) (CID 87744563) is carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+).
What is the SMILES notation for carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)?
The canonical SMILES for carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+) is CCO.CCO.[CH2-]CCOCC1CO1.[CH3-].[Zr+2].
What is the InChIKey of carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)?
The InChIKey is SBSZBTICFSXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2.2C2H6O.CH3.Zr/c1-2-3-7-4-6-5-8-6;2*1-2-3;;/h6H,1-5H2;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2.
What are the key properties of carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+)?
carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+) has a molecular weight of 313.55 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethanol;2-(propoxymethyl)oxirane;zirconium(2+) is sourced from PubChem (CID 87744563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).