methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate

C9H19O4P — CID 11862228

IUPACmethyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
SMILESCOC(=O)CC[P@](C)(=O)OCC(C)C
InChIInChI=1S/C9H19O4P/c1-8(2)7-13-14(4,11)6-5-9(10)12-3/h8H,5-7H2,1-4H3/t14-/m1/s1
InChIKeyWZOWPKOCIQZEGD-CQSZACIVSA-N
MW222.22 g/mol
LogP2.13
Rot. Bonds6

About methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate

methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate (PubChem CID 11862228) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
PubChem CID11862228
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Namemethyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
SMILESCOC(=O)CC[P@](C)(=O)OCC(C)C
InChIInChI=1S/C9H19O4P/c1-8(2)7-13-14(4,11)6-5-9(10)12-3/h8H,5-7H2,1-4H3/t14-/m1/s1
InChIKeyWZOWPKOCIQZEGD-CQSZACIVSA-N
XLogP2.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid
CID 15757545
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
dimethyl 4-methylheptanedioate
CID 521222
methyl 3-[bis[1-[bis[1-[bis(2-methylpropoxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658927
ethyl 3-[methoxy(methyl)phosphoryl]propanoate
CID 11019721
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl 4-amino-4-oxobutanoate;2-methylpropylphosphonic acid
CID 19089071
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
methyl 4,11-dimethyldodecanoate
CID 139586473

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate?
The IUPAC name of methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate (CID 11862228) is methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate.
What is the SMILES notation for methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate?
The canonical SMILES for methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate is COC(=O)CC[P@](C)(=O)OCC(C)C.
What is the InChIKey of methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate?
The InChIKey is WZOWPKOCIQZEGD-CQSZACIVSA-N. The full InChI is InChI=1S/C9H19O4P/c1-8(2)7-13-14(4,11)6-5-9(10)12-3/h8H,5-7H2,1-4H3/t14-/m1/s1.
What are the key properties of methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate?
methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate has a molecular weight of 222.22 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate is sourced from PubChem (CID 11862228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).