dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate

C12H24O10P2 — CID 88549328

IUPACdimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate
SMILESCCP(=O)(OC)OC(C(=O)OC)C(OP(=O)(CC)OC)C(=O)OC
InChIInChI=1S/C12H24O10P2/c1-7-23(15,19-5)21-9(11(13)17-3)10(12(14)18-4)22-24(16,8-2)20-6/h9-10H,7-8H2,1-6H3
InChIKeySOZINHBNNKZZCR-UHFFFAOYSA-N
MW390.26 g/mol
LogP1.82
Rot. Bonds11

About dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate

dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate (PubChem CID 88549328) has the molecular formula C12H24O10P2 and a molecular weight of 390.26 g/mol. Its IUPAC name is dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate.

Molecular Properties

Compound Namedimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate
PubChem CID88549328
Molecular FormulaC12H24O10P2
Molecular Weight390.26 g/mol
Exact Mass390.08
IUPAC Namedimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate
SMILESCCP(=O)(OC)OC(C(=O)OC)C(OP(=O)(CC)OC)C(=O)OC
InChIInChI=1S/C12H24O10P2/c1-7-23(15,19-5)21-9(11(13)17-3)10(12(14)18-4)22-24(16,8-2)20-6/h9-10H,7-8H2,1-6H3
InChIKeySOZINHBNNKZZCR-UHFFFAOYSA-N
XLogP1.82
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-dimethoxyphosphoryl-2-methoxycarbonyl-3-methylbutanoic acid
CID 19107770
N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide
CID 54217472
[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium
CID 168867703
[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
CID 10965753
(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide
CID 54500040
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium
CID 59280329
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
1-dimethoxyphosphoryl-3-ethylhexan-2-one
CID 21328894
methyl 4-dimethoxyphosphoryl-3-methylbut-2-enoate
CID 54369846

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate?
The IUPAC name of dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate (CID 88549328) is dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate.
What is the SMILES notation for dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate?
The canonical SMILES for dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate is CCP(=O)(OC)OC(C(=O)OC)C(OP(=O)(CC)OC)C(=O)OC.
What is the InChIKey of dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate?
The InChIKey is SOZINHBNNKZZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O10P2/c1-7-23(15,19-5)21-9(11(13)17-3)10(12(14)18-4)22-24(16,8-2)20-6/h9-10H,7-8H2,1-6H3.
What are the key properties of dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate?
dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate has a molecular weight of 390.26 g/mol, XLogP of 1.82, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate is sourced from PubChem (CID 88549328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).