5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde

C7H13O4P — CID 23002097

IUPAC5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde
SMILESCCC1(C)COP(=O)(C=O)OC1
InChIInChI=1S/C7H13O4P/c1-3-7(2)4-10-12(9,6-8)11-5-7/h6H,3-5H2,1-2H3
InChIKeyBSAVJCJABDMLPB-UHFFFAOYSA-N
MW192.15 g/mol
LogP1.83
Rot. Bonds2

About 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde

5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde (PubChem CID 23002097) has the molecular formula C7H13O4P and a molecular weight of 192.15 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde
PubChem CID23002097
Molecular FormulaC7H13O4P
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde
SMILESCCC1(C)COP(=O)(C=O)OC1
InChIInChI=1S/C7H13O4P/c1-3-7(2)4-10-12(9,6-8)11-5-7/h6H,3-5H2,1-2H3
InChIKeyBSAVJCJABDMLPB-UHFFFAOYSA-N
XLogP1.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde?
The IUPAC name of 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde (CID 23002097) is 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde?
The canonical SMILES for 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde is CCC1(C)COP(=O)(C=O)OC1.
What is the InChIKey of 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde?
The InChIKey is BSAVJCJABDMLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O4P/c1-3-7(2)4-10-12(9,6-8)11-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde?
5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde has a molecular weight of 192.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-2-carbaldehyde is sourced from PubChem (CID 23002097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).