methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate

C14H29O7P — CID 157328267

IUPACmethyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate
SMILESCCOCCOP(=O)(OC(C)CCC(=O)OC)OC(C)(C)C
InChIInChI=1S/C14H29O7P/c1-7-18-10-11-19-22(16,21-14(3,4)5)20-12(2)8-9-13(15)17-6/h12H,7-11H2,1-6H3
InChIKeyCPYCAAONONERLE-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.32
Rot. Bonds11

About methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate

methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate (PubChem CID 157328267) has the molecular formula C14H29O7P and a molecular weight of 340.35 g/mol. Its IUPAC name is methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate.

Molecular Properties

Compound Namemethyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate
PubChem CID157328267
Molecular FormulaC14H29O7P
Molecular Weight340.35 g/mol
Exact Mass340.17
IUPAC Namemethyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate
SMILESCCOCCOP(=O)(OC(C)CCC(=O)OC)OC(C)(C)C
InChIInChI=1S/C14H29O7P/c1-7-18-10-11-19-22(16,21-14(3,4)5)20-12(2)8-9-13(15)17-6/h12H,7-11H2,1-6H3
InChIKeyCPYCAAONONERLE-UHFFFAOYSA-N
XLogP3.32
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2-ethoxyethylamino)-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxypentanoate
CID 161350756
2-[(2-methylpropan-2-yl)oxy-(1,2,2-trifluoroethoxy)phosphoryl]oxyethyl carbamate
CID 175589405
methyl 8-ethoxy-4-hydroxyoctanoate
CID 138564422
2-ethoxyethyl diethyl phosphate
CID 3052884
2-[bis[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphorylmethyl]pentanedioic acid
CID 134564914
(2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate
CID 88590991
methyl (4R)-6-methoxy-4-methylhexanoate
CID 10931927
dimethyl 4-methylheptanedioate
CID 521222
(2,5-dioxocyclopentyl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyethoxy]ethoxy]butanoate
CID 158409674
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
1-(2-ethoxyethoxy)-1-methoxy-1-(2-methoxyethoxy)propan-2-ol
CID 87550233

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate?
The IUPAC name of methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate (CID 157328267) is methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate.
What is the SMILES notation for methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate?
The canonical SMILES for methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate is CCOCCOP(=O)(OC(C)CCC(=O)OC)OC(C)(C)C.
What is the InChIKey of methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate?
The InChIKey is CPYCAAONONERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O7P/c1-7-18-10-11-19-22(16,21-14(3,4)5)20-12(2)8-9-13(15)17-6/h12H,7-11H2,1-6H3.
What are the key properties of methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate?
methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate has a molecular weight of 340.35 g/mol, XLogP of 3.32, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-ethoxyethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypentanoate is sourced from PubChem (CID 157328267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).