ethyl 2-methoxypentyl hydrogen phosphate

C8H19O5P — CID 20651961

IUPACethyl 2-methoxypentyl hydrogen phosphate
SMILESCCCC(COP(=O)(O)OCC)OC
InChIInChI=1S/C8H19O5P/c1-4-6-8(11-3)7-13-14(9,10)12-5-2/h8H,4-7H2,1-3H3,(H,9,10)
InChIKeyTYZYNQVLCYBOLZ-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.96
Rot. Bonds8

About ethyl 2-methoxypentyl hydrogen phosphate

ethyl 2-methoxypentyl hydrogen phosphate (PubChem CID 20651961) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is ethyl 2-methoxypentyl hydrogen phosphate.

Molecular Properties

Compound Nameethyl 2-methoxypentyl hydrogen phosphate
PubChem CID20651961
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-methoxypentyl hydrogen phosphate
SMILESCCCC(COP(=O)(O)OCC)OC
InChIInChI=1S/C8H19O5P/c1-4-6-8(11-3)7-13-14(9,10)12-5-2/h8H,4-7H2,1-3H3,(H,9,10)
InChIKeyTYZYNQVLCYBOLZ-UHFFFAOYSA-N
XLogP1.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxypentyl hydrogen phosphate?
The IUPAC name of ethyl 2-methoxypentyl hydrogen phosphate (CID 20651961) is ethyl 2-methoxypentyl hydrogen phosphate.
What is the SMILES notation for ethyl 2-methoxypentyl hydrogen phosphate?
The canonical SMILES for ethyl 2-methoxypentyl hydrogen phosphate is CCCC(COP(=O)(O)OCC)OC.
What is the InChIKey of ethyl 2-methoxypentyl hydrogen phosphate?
The InChIKey is TYZYNQVLCYBOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-4-6-8(11-3)7-13-14(9,10)12-5-2/h8H,4-7H2,1-3H3,(H,9,10).
What are the key properties of ethyl 2-methoxypentyl hydrogen phosphate?
ethyl 2-methoxypentyl hydrogen phosphate has a molecular weight of 226.21 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxypentyl hydrogen phosphate is sourced from PubChem (CID 20651961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).