(2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium

C8H15O2Y- — CID 167654014

IUPAC(2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium
SMILES[CH2-][C@H]1O[C@@H](C)C[C@H]1OCC.[Y]
InChIInChI=1S/C8H15O2.Y/c1-4-9-8-5-6(2)10-7(8)3;/h6-8H,3-5H2,1-2H3;/q-1;/t6-,7+,8+;/m0./s1
InChIKeyVKFXHZGCYMLJIX-HNPMAXIBSA-N
MW232.11 g/mol
LogP1.40
Rot. Bonds2

About (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium

(2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium (PubChem CID 167654014) has the molecular formula C8H15O2Y- and a molecular weight of 232.11 g/mol. Its IUPAC name is (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium.

Molecular Properties

Compound Name(2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium
PubChem CID167654014
Molecular FormulaC8H15O2Y-
Molecular Weight232.11 g/mol
Exact Mass232.01
IUPAC Name(2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium
SMILES[CH2-][C@H]1O[C@@H](C)C[C@H]1OCC.[Y]
InChIInChI=1S/C8H15O2.Y/c1-4-9-8-5-6(2)10-7(8)3;/h6-8H,3-5H2,1-2H3;/q-1;/t6-,7+,8+;/m0./s1
InChIKeyVKFXHZGCYMLJIX-HNPMAXIBSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-2-methyloxolane
CID 15552986
2-Ethyl-3-methoxy-5-methyloxolane
CID 20665248
Carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium
CID 20709822
Carbanide;2-ethyl-3-methoxy-2,3,4,5-tetrahydrofuran-5-ide;niobium(2+)
CID 20709824
(2S,3S)-3-methoxy-2-methyloxolane
CID 54298033
O-(2,5-dimethyloxolan-3-yl) ethanethioate
CID 57509240
(2R,4R,5S)-2-ethyl-3,4-dimethoxy-5-methyloxolane
CID 57677268
(2R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 58528107
(2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane
CID 59637462
4-Methoxy-2-propyloxolane
CID 59734010
(2R)-3,4-dimethoxy-2,5-dimethyloxolane
CID 59893392
2,5-Dimethyloxolane-3,4-diolate;bis(rubidium(1+))
CID 59905049

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium?
The IUPAC name of (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium (CID 167654014) is (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium.
What is the SMILES notation for (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium?
The canonical SMILES for (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium is [CH2-][C@H]1O[C@@H](C)C[C@H]1OCC.[Y].
What is the InChIKey of (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium?
The InChIKey is VKFXHZGCYMLJIX-HNPMAXIBSA-N. The full InChI is InChI=1S/C8H15O2.Y/c1-4-9-8-5-6(2)10-7(8)3;/h6-8H,3-5H2,1-2H3;/q-1;/t6-,7+,8+;/m0./s1.
What are the key properties of (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium?
(2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium has a molecular weight of 232.11 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-3-ethoxy-2-methanidyl-5-methyloxolane;yttrium is sourced from PubChem (CID 167654014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).