2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate

C10H19O6P — CID 141382617

IUPAC2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOPOCOC(=O)C(C)C
InChIInChI=1S/C10H19O6P/c1-7(2)9(11)13-5-15-17-16-6-14-10(12)8(3)4/h7-8,17H,5-6H2,1-4H3
InChIKeyKOSBZEHQRYHJSZ-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.84
Rot. Bonds8

About 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate

2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate (PubChem CID 141382617) has the molecular formula C10H19O6P and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate
PubChem CID141382617
Molecular FormulaC10H19O6P
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Name2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOPOCOC(=O)C(C)C
InChIInChI=1S/C10H19O6P/c1-7(2)9(11)13-5-15-17-16-6-14-10(12)8(3)4/h7-8,17H,5-6H2,1-4H3
InChIKeyKOSBZEHQRYHJSZ-UHFFFAOYSA-N
XLogP1.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
CID 155408739
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
1-O-ethyl 4-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 46179455
2-trimethoxysilylethyl 2-methylpropanoate
CID 59172701
2,2-difluoroethyl 2-methylpropanoate
CID 87205519
sodium (E)-4-(2-methylpropanoyloxymethoxy)-4-oxobut-2-enoate
CID 140738806
[(2S)-2-fluoropropyl]carbamoyloxymethyl 2-methylpropanoate
CID 173052707
2-ethylbutyl 2-methylpropanoate
CID 551315
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
ethyl 2-methylpropanoate;formic acid
CID 175762228
chloromethyl 2-methylpropanoate;2-methylpropanoic acid
CID 158352100

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate?
The IUPAC name of 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate (CID 141382617) is 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate.
What is the SMILES notation for 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate?
The canonical SMILES for 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate is CC(C)C(=O)OCOPOCOC(=O)C(C)C.
What is the InChIKey of 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate?
The InChIKey is KOSBZEHQRYHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O6P/c1-7(2)9(11)13-5-15-17-16-6-14-10(12)8(3)4/h7-8,17H,5-6H2,1-4H3.
What are the key properties of 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate?
2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate has a molecular weight of 266.23 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate is sourced from PubChem (CID 141382617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).