2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde

C10H19O4P — CID 22090804

IUPAC2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde
SMILESCOCC1(C=O)CC(OPC)C(C)CO1
InChIInChI=1S/C10H19O4P/c1-8-5-13-10(6-11,7-12-2)4-9(8)14-15-3/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyUTRKHNWULKKJJZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.24
Rot. Bonds5

About 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde

2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde (PubChem CID 22090804) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde
PubChem CID22090804
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde
SMILESCOCC1(C=O)CC(OPC)C(C)CO1
InChIInChI=1S/C10H19O4P/c1-8-5-13-10(6-11,7-12-2)4-9(8)14-15-3/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyUTRKHNWULKKJJZ-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.24
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 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
The IUPAC name of 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde (CID 22090804) is 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde.
What is the SMILES notation for 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
The canonical SMILES for 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde is COCC1(C=O)CC(OPC)C(C)CO1.
What is the InChIKey of 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
The InChIKey is UTRKHNWULKKJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-8-5-13-10(6-11,7-12-2)4-9(8)14-15-3/h6,8-9,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde has a molecular weight of 234.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde is sourced from PubChem (CID 22090804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).