5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium

C5H13O2PY — CID 156748573

IUPAC5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium
SMILESCC1(C)COPOC1.[H][H].[Y]
InChIInChI=1S/C5H11O2P.Y.H2/c1-5(2)3-6-8-7-4-5;;/h8H,3-4H2,1-2H3;;1H
InChIKeyKPMSJCBYCNYBCX-UHFFFAOYSA-N
MW225.04 g/mol
LogP1.81
Rot. Bonds

About 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium

5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium (PubChem CID 156748573) has the molecular formula C5H13O2PY and a molecular weight of 225.04 g/mol. Its IUPAC name is 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium.

Molecular Properties

Compound Name5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium
PubChem CID156748573
Molecular FormulaC5H13O2PY
Molecular Weight225.04 g/mol
Exact Mass224.97
IUPAC Name5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium
SMILESCC1(C)COPOC1.[H][H].[Y]
InChIInChI=1S/C5H11O2P.Y.H2/c1-5(2)3-6-8-7-4-5;;/h8H,3-4H2,1-2H3;;1H
InChIKeyKPMSJCBYCNYBCX-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-1,3,2-dioxaphosphinane;propane;uranium
CID 163957438
5,5-diethyl-1,3,2-dioxaphosphinane
CID 89071560
3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 88915075
7,7-dimethyl-1,3,5-trioxocane
CID 145482974
2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
CID 23420038
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
3,3-dimethyldioxolane-4,4-diol
CID 19069932
2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 550049
6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 543319
5,5-dimethyl-1,3,2-dioxathiane 2-oxide
CID 10877294
4,4-dimethyl-1,3,2-oxathiaphospholane
CID 57182326
2,2-diethyl-5,5-dimethyl-1,3-dioxane
CID 15146979

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium?
The IUPAC name of 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium (CID 156748573) is 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium.
What is the SMILES notation for 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium?
The canonical SMILES for 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium is CC1(C)COPOC1.[H][H].[Y].
What is the InChIKey of 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium?
The InChIKey is KPMSJCBYCNYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2P.Y.H2/c1-5(2)3-6-8-7-4-5;;/h8H,3-4H2,1-2H3;;1H.
What are the key properties of 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium?
5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium has a molecular weight of 225.04 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium is sourced from PubChem (CID 156748573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).