ethoxy ethyl hexan-3-yloxy phosphate

C10H23O6P — CID 155756142

IUPACethoxy ethyl hexan-3-yloxy phosphate
SMILESCCCC(CC)OOP(=O)(OCC)OOCC
InChIInChI=1S/C10H23O6P/c1-5-9-10(6-2)14-16-17(11,13-8-4)15-12-7-3/h10H,5-9H2,1-4H3
InChIKeyVQDSXINYCOTCIE-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.63
Rot. Bonds11

About ethoxy ethyl hexan-3-yloxy phosphate

ethoxy ethyl hexan-3-yloxy phosphate (PubChem CID 155756142) has the molecular formula C10H23O6P and a molecular weight of 270.26 g/mol. Its IUPAC name is ethoxy ethyl hexan-3-yloxy phosphate.

Molecular Properties

Compound Nameethoxy ethyl hexan-3-yloxy phosphate
PubChem CID155756142
Molecular FormulaC10H23O6P
Molecular Weight270.26 g/mol
Exact Mass270.12
IUPAC Nameethoxy ethyl hexan-3-yloxy phosphate
SMILESCCCC(CC)OOP(=O)(OCC)OOCC
InChIInChI=1S/C10H23O6P/c1-5-9-10(6-2)14-16-17(11,13-8-4)15-12-7-3/h10H,5-9H2,1-4H3
InChIKeyVQDSXINYCOTCIE-UHFFFAOYSA-N
XLogP3.63
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxy ethyl phosphate
CID 22136775
trihexan-3-yl phosphate
CID 22497582
diethoxy methyl phosphate
CID 154199840
tributyl(diethoxyphosphoryloxy)phosphanium
CID 175318995
hexan-3-yloxy nitrite
CID 59085476
1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate
CID 22954426
hexan-3-yloxy(oxo)phosphanium
CID 123426808
[di(propan-2-yl)amino] diethoxy phosphate
CID 141077385
3-di(hexan-3-yl)phosphoryloxyhexane
CID 175211206
4-diethoxyphosphoryloxybutyl 2-propylpentanoate
CID 71728027
[ethoxy(octan-3-yloxy)phosphoryl] prop-2-eneperoxoate
CID 175468613
henicosan-4-yloxy dihydrogen phosphate
CID 175269887

Frequently Asked Questions

What is the IUPAC name of ethoxy ethyl hexan-3-yloxy phosphate?
The IUPAC name of ethoxy ethyl hexan-3-yloxy phosphate (CID 155756142) is ethoxy ethyl hexan-3-yloxy phosphate.
What is the SMILES notation for ethoxy ethyl hexan-3-yloxy phosphate?
The canonical SMILES for ethoxy ethyl hexan-3-yloxy phosphate is CCCC(CC)OOP(=O)(OCC)OOCC.
What is the InChIKey of ethoxy ethyl hexan-3-yloxy phosphate?
The InChIKey is VQDSXINYCOTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O6P/c1-5-9-10(6-2)14-16-17(11,13-8-4)15-12-7-3/h10H,5-9H2,1-4H3.
What are the key properties of ethoxy ethyl hexan-3-yloxy phosphate?
ethoxy ethyl hexan-3-yloxy phosphate has a molecular weight of 270.26 g/mol, XLogP of 3.63, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy ethyl hexan-3-yloxy phosphate is sourced from PubChem (CID 155756142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).