(2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium

C16H32O2PWY- — CID 163827794

IUPAC(2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium
SMILESCC(C)CP=O.[CH2-][C@H]1O[C@@H](C)C(C)[C@H]1CC(C)(C)C.[W].[Y]
InChIInChI=1S/C12H23O.C4H9OP.W.Y/c1-8-9(2)13-10(3)11(8)7-12(4,5)6;1-4(2)3-6-5;;/h8-11H,3,7H2,1-2,4-6H3;4H,3H2,1-2H3;;/q-1;;;/t8?,9-,10+,11+;;;/m0.../s1
InChIKeyNMJQTMYSVHXLMQ-NEVZUKMLSA-N
MW560.15 g/mol
LogP5.23
Rot. Bonds3

About (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium

(2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium (PubChem CID 163827794) has the molecular formula C16H32O2PWY- and a molecular weight of 560.15 g/mol. Its IUPAC name is (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium.

Molecular Properties

Compound Name(2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium
PubChem CID163827794
Molecular FormulaC16H32O2PWY-
Molecular Weight560.15 g/mol
Exact Mass560.07
IUPAC Name(2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium
SMILESCC(C)CP=O.[CH2-][C@H]1O[C@@H](C)C(C)[C@H]1CC(C)(C)C.[W].[Y]
InChIInChI=1S/C12H23O.C4H9OP.W.Y/c1-8-9(2)13-10(3)11(8)7-12(4,5)6;1-4(2)3-6-5;;/h8-11H,3,7H2,1-2,4-6H3;4H,3H2,1-2H3;;/q-1;;;/t8?,9-,10+,11+;;;/m0.../s1
InChIKeyNMJQTMYSVHXLMQ-NEVZUKMLSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.15
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium?
The IUPAC name of (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium (CID 163827794) is (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium.
What is the SMILES notation for (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium?
The canonical SMILES for (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium is CC(C)CP=O.[CH2-][C@H]1O[C@@H](C)C(C)[C@H]1CC(C)(C)C.[W].[Y].
What is the InChIKey of (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium?
The InChIKey is NMJQTMYSVHXLMQ-NEVZUKMLSA-N. The full InChI is InChI=1S/C12H23O.C4H9OP.W.Y/c1-8-9(2)13-10(3)11(8)7-12(4,5)6;1-4(2)3-6-5;;/h8-11H,3,7H2,1-2,4-6H3;4H,3H2,1-2H3;;/q-1;;;/t8?,9-,10+,11+;;;/m0.../s1.
What are the key properties of (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium?
(2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium has a molecular weight of 560.15 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium is sourced from PubChem (CID 163827794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).