4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide

C6H11O5P — CID 3046039

IUPAC4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
SMILESCOCC12COP(=O)(OC1)OC2
InChIInChI=1S/C6H11O5P/c1-8-2-6-3-9-12(7,10-4-6)11-5-6/h2-5H2,1H3
InChIKeyYELNCVPQUBNXMZ-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.80
Rot. Bonds2

About 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide

4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide (PubChem CID 3046039) has the molecular formula C6H11O5P and a molecular weight of 194.12 g/mol. Its IUPAC name is 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide.

Molecular Properties

Compound Name4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
PubChem CID3046039
Molecular FormulaC6H11O5P
Molecular Weight194.12 g/mol
Exact Mass194.03
IUPAC Name4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
SMILESCOCC12COP(=O)(OC1)OC2
InChIInChI=1S/C6H11O5P/c1-8-2-6-3-9-12(7,10-4-6)11-5-6/h2-5H2,1H3
InChIKeyYELNCVPQUBNXMZ-UHFFFAOYSA-N
XLogP0.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide?
The IUPAC name of 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide (CID 3046039) is 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide.
What is the SMILES notation for 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide?
The canonical SMILES for 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide is COCC12COP(=O)(OC1)OC2.
What is the InChIKey of 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide?
The InChIKey is YELNCVPQUBNXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O5P/c1-8-2-6-3-9-12(7,10-4-6)11-5-6/h2-5H2,1H3.
What are the key properties of 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide?
4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide has a molecular weight of 194.12 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide is sourced from PubChem (CID 3046039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).