(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium

C15H31O4PY — CID 163686868

IUPAC(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium
SMILESCC(C)CO[PH](=O)OC[C@H]1O[C@@H](C)[C@@H](C)C1CC(C)C.[Y]
InChIInChI=1S/C15H31O4P.Y/c1-10(2)7-14-12(5)13(6)19-15(14)9-18-20(16)17-8-11(3)4;/h10-15,20H,7-9H2,1-6H3;/t12-,13+,14?,15-;/m1./s1
InChIKeyJPPLVYGVUYRBFR-ISXUQMITSA-N
MW395.29 g/mol
LogP4.15
Rot. Bonds8

About (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium

(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium (PubChem CID 163686868) has the molecular formula C15H31O4PY and a molecular weight of 395.29 g/mol. Its IUPAC name is (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium.

Molecular Properties

Compound Name(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium
PubChem CID163686868
Molecular FormulaC15H31O4PY
Molecular Weight395.29 g/mol
Exact Mass395.10
IUPAC Name(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium
SMILESCC(C)CO[PH](=O)OC[C@H]1O[C@@H](C)[C@@H](C)C1CC(C)C.[Y]
InChIInChI=1S/C15H31O4P.Y/c1-10(2)7-14-12(5)13(6)19-15(14)9-18-20(16)17-8-11(3)4;/h10-15,20H,7-9H2,1-6H3;/t12-,13+,14?,15-;/m1./s1
InChIKeyJPPLVYGVUYRBFR-ISXUQMITSA-N
XLogP4.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
CID 118580383
ethane;2-methyl-3-(2-methylbutyl)oxirane
CID 143374675
2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 21349670
2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal
CID 159966152
[(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium
CID 158800100
(2R,3R,5S)-3-(2,2-dimethylpropyl)-2-methanidyl-4,5-dimethyloxolane;2-methyl-1-phosphorosopropane;tungsten;yttrium
CID 163827794
3-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-one
CID 114962373
ethyl (2R,3S,5S,6S)-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane-3-carboxylate
CID 57338512
CID 163909475
CID 163909475
2-methyl-4-(3-methyloxiran-2-yl)butanal
CID 89097955
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium?
The IUPAC name of (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium (CID 163686868) is (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium.
What is the SMILES notation for (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium?
The canonical SMILES for (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium is CC(C)CO[PH](=O)OC[C@H]1O[C@@H](C)[C@@H](C)C1CC(C)C.[Y].
What is the InChIKey of (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium?
The InChIKey is JPPLVYGVUYRBFR-ISXUQMITSA-N. The full InChI is InChI=1S/C15H31O4P.Y/c1-10(2)7-14-12(5)13(6)19-15(14)9-18-20(16)17-8-11(3)4;/h10-15,20H,7-9H2,1-6H3;/t12-,13+,14?,15-;/m1./s1.
What are the key properties of (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium?
(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium has a molecular weight of 395.29 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium is sourced from PubChem (CID 163686868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).