2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate

C11H25O5P — CID 87434451

IUPAC2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate
SMILESCCCCOCCOP(=O)(O)OCC(C)(C)C
InChIInChI=1S/C11H25O5P/c1-5-6-7-14-8-9-15-17(12,13)16-10-11(2,3)4/h5-10H2,1-4H3,(H,12,13)
InChIKeyOGPOMKBJBCLTEV-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.98
Rot. Bonds9

About 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate

2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate (PubChem CID 87434451) has the molecular formula C11H25O5P and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate.

Molecular Properties

Compound Name2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate
PubChem CID87434451
Molecular FormulaC11H25O5P
Molecular Weight268.29 g/mol
Exact Mass268.14
IUPAC Name2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate
SMILESCCCCOCCOP(=O)(O)OCC(C)(C)C
InChIInChI=1S/C11H25O5P/c1-5-6-7-14-8-9-15-17(12,13)16-10-11(2,3)4/h5-10H2,1-4H3,(H,12,13)
InChIKeyOGPOMKBJBCLTEV-UHFFFAOYSA-N
XLogP2.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Tris(2-butoxyethyl) phosphate
CID 6540
Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CID 84299
2-Butoxyethyl phosphate
CID 62009
Ethanol, 2-(2-butoxyethoxy)-, phosphate
CID 173028
Bis(2-butoxyethyl) 2-hydroxyethyl phosphate
CID 132967161
ethanol, 2-(2-butoxyethoxy)-, phosphate, potassium salt
CID 173027
3,6,9,12-Tetraoxahexadecan-1-ol, 15-methyl-, dihydrogen phosphate
CID 113137
Phosphoric acid, butyl 2-ethoxyethyl ester
CID 109689
Sodium bis(2-butoxyethyl) phosphate
CID 23662444
2-Propanol, 1-(2-butoxyethoxy)-, phosphate
CID 21118816
Triphosphoric acid, 2-(2-butoxyethoxy)ethyl ester
CID 44152697
ethanol, 2-(2-butoxyethoxy)-, phosphate, sodium salt
CID 56841520

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate?
The IUPAC name of 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate (CID 87434451) is 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate.
What is the SMILES notation for 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate?
The canonical SMILES for 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate is CCCCOCCOP(=O)(O)OCC(C)(C)C.
What is the InChIKey of 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate?
The InChIKey is OGPOMKBJBCLTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O5P/c1-5-6-7-14-8-9-15-17(12,13)16-10-11(2,3)4/h5-10H2,1-4H3,(H,12,13).
What are the key properties of 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate?
2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate has a molecular weight of 268.29 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2,2-dimethylpropyl hydrogen phosphate is sourced from PubChem (CID 87434451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).