methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid

C9H17O7P — CID 89208279

IUPACmethoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid
SMILESCOC(=O)CCC(CP(=O)(O)OC)C(=O)OC
InChIInChI=1S/C9H17O7P/c1-14-8(10)5-4-7(9(11)15-2)6-17(12,13)16-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyWUOBIVMTWOZSNE-UHFFFAOYSA-N
MW268.20 g/mol
LogP0.56
Rot. Bonds7

About methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid

methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid (PubChem CID 89208279) has the molecular formula C9H17O7P and a molecular weight of 268.20 g/mol. Its IUPAC name is methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid.

Molecular Properties

Compound Namemethoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid
PubChem CID89208279
Molecular FormulaC9H17O7P
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Namemethoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid
SMILESCOC(=O)CCC(CP(=O)(O)OC)C(=O)OC
InChIInChI=1S/C9H17O7P/c1-14-8(10)5-4-7(9(11)15-2)6-17(12,13)16-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyWUOBIVMTWOZSNE-UHFFFAOYSA-N
XLogP0.56
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphonic acid
CID 118871938
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
trimethyl heptadecane-1,7,17-tricarboxylate
CID 102526998
tetramethyl tetradecane-1,4,11,14-tetracarboxylate
CID 142703786
methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 15715183
[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium
CID 6994978
(E)-1,4-dibromobut-2-ene;dimethyl 2-[(E)-4-bromobut-2-enyl]pentanedioate;dimethyl pentanedioate;methane
CID 158295078
methoxy(2-methylpropyl)phosphinic acid
CID 54548928
dimethyl 4-methylheptanedioate
CID 521222
methyl 4-amino-4-bromobutanoate
CID 175158187
dimethyl 2-ethylnonanedioate
CID 87129030
dimethyl 2-ethyloctadecanedioate
CID 87117347

Frequently Asked Questions

What is the IUPAC name of methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid?
The IUPAC name of methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid (CID 89208279) is methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid.
What is the SMILES notation for methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid?
The canonical SMILES for methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid is COC(=O)CCC(CP(=O)(O)OC)C(=O)OC.
What is the InChIKey of methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid?
The InChIKey is WUOBIVMTWOZSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O7P/c1-14-8(10)5-4-7(9(11)15-2)6-17(12,13)16-3/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid?
methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid has a molecular weight of 268.20 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid is sourced from PubChem (CID 89208279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).