molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C6H15O3P — CID 159705133

IUPACmolecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(C)(=O)OC1.[H][H]
InChIInChI=1S/C6H13O3P.H2/c1-6(2)4-8-10(3,7)9-5-6;/h4-5H2,1-3H3;1H
InChIKeyMYCOVVOBHFTYTN-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.13
Rot. Bonds

About molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 159705133) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Namemolecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID159705133
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Namemolecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(C)(=O)OC1.[H][H]
InChIInChI=1S/C6H13O3P.H2/c1-6(2)4-8-10(3,7)9-5-6;/h4-5H2,1-3H3;1H
InChIKeyMYCOVVOBHFTYTN-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 159705133) is molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1(C)COP(C)(=O)OC1.[H][H].
What is the InChIKey of molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is MYCOVVOBHFTYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P.H2/c1-6(2)4-8-10(3,7)9-5-6;/h4-5H2,1-3H3;1H.
What are the key properties of molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 166.16 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 159705133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).