2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane

C10H19O5P — CID 21251791

IUPAC2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane
SMILESCCCCP(=O)(OCC1CO1)OCC1CO1
InChIInChI=1S/C10H19O5P/c1-2-3-4-16(11,14-7-9-5-12-9)15-8-10-6-13-10/h9-10H,2-8H2,1H3
InChIKeyITMUVRJKHDNAJM-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.81
Rot. Bonds9

About 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane

2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane (PubChem CID 21251791) has the molecular formula C10H19O5P and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane
PubChem CID21251791
Molecular FormulaC10H19O5P
Molecular Weight250.23 g/mol
Exact Mass250.10
IUPAC Name2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane
SMILESCCCCP(=O)(OCC1CO1)OCC1CO1
InChIInChI=1S/C10H19O5P/c1-2-3-4-16(11,14-7-9-5-12-9)15-8-10-6-13-10/h9-10H,2-8H2,1H3
InChIKeyITMUVRJKHDNAJM-UHFFFAOYSA-N
XLogP1.81
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane?
The IUPAC name of 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane (CID 21251791) is 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane?
The canonical SMILES for 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane is CCCCP(=O)(OCC1CO1)OCC1CO1.
What is the InChIKey of 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane?
The InChIKey is ITMUVRJKHDNAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O5P/c1-2-3-4-16(11,14-7-9-5-12-9)15-8-10-6-13-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane?
2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane has a molecular weight of 250.23 g/mol, XLogP of 1.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane is sourced from PubChem (CID 21251791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).