3-methyl-1-phosphorosooxybutane;tris(yttrium)

C5H11O2PY3 — CID 59595514

IUPAC3-methyl-1-phosphorosooxybutane;tris(yttrium)
SMILESCC(C)CCOP=O.[Y].[Y].[Y]
InChIInChI=1S/C5H11O2P.3Y/c1-5(2)3-4-7-8-6;;;/h5H,3-4H2,1-2H3;;;
InChIKeyBJCYGAGWUSJJHB-UHFFFAOYSA-N
MW400.83 g/mol
LogP2.25
Rot. Bonds4

About 3-methyl-1-phosphorosooxybutane;tris(yttrium)

3-methyl-1-phosphorosooxybutane;tris(yttrium) (PubChem CID 59595514) has the molecular formula C5H11O2PY3 and a molecular weight of 400.83 g/mol. Its IUPAC name is 3-methyl-1-phosphorosooxybutane;tris(yttrium).

Molecular Properties

Compound Name3-methyl-1-phosphorosooxybutane;tris(yttrium)
PubChem CID59595514
Molecular FormulaC5H11O2PY3
Molecular Weight400.83 g/mol
Exact Mass400.77
IUPAC Name3-methyl-1-phosphorosooxybutane;tris(yttrium)
SMILESCC(C)CCOP=O.[Y].[Y].[Y]
InChIInChI=1S/C5H11O2P.3Y/c1-5(2)3-4-7-8-6;;;/h5H,3-4H2,1-2H3;;;
InChIKeyBJCYGAGWUSJJHB-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trimethyl-1-phosphorosooxyhexane
CID 18724905
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
2-O-tert-butyl 1-O-(3-methylbutyl) oxalate
CID 56996689
3-methylbutoxygallane
CID 174485666
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
CID 148792664
CID 148792664
3-methylbutyl hypobromite
CID 141146646
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methylbutoxysilane
CID 123427672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phosphorosooxybutane;tris(yttrium)?
The IUPAC name of 3-methyl-1-phosphorosooxybutane;tris(yttrium) (CID 59595514) is 3-methyl-1-phosphorosooxybutane;tris(yttrium).
What is the SMILES notation for 3-methyl-1-phosphorosooxybutane;tris(yttrium)?
The canonical SMILES for 3-methyl-1-phosphorosooxybutane;tris(yttrium) is CC(C)CCOP=O.[Y].[Y].[Y].
What is the InChIKey of 3-methyl-1-phosphorosooxybutane;tris(yttrium)?
The InChIKey is BJCYGAGWUSJJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2P.3Y/c1-5(2)3-4-7-8-6;;;/h5H,3-4H2,1-2H3;;;.
What are the key properties of 3-methyl-1-phosphorosooxybutane;tris(yttrium)?
3-methyl-1-phosphorosooxybutane;tris(yttrium) has a molecular weight of 400.83 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phosphorosooxybutane;tris(yttrium) is sourced from PubChem (CID 59595514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).