ethyl methyl hydrogen phosphate

C3H9O4P — CID 13319001

IUPACethyl methyl hydrogen phosphate
SMILESCCOP(=O)(O)OC
InChIInChI=1S/C3H9O4P/c1-3-7-8(4,5)6-2/h3H2,1-2H3,(H,4,5)
InChIKeyXMNQCSOOUOJOLR-UHFFFAOYSA-N
MW140.07 g/mol
LogP0.77
Rot. Bonds3

About ethyl methyl hydrogen phosphate

ethyl methyl hydrogen phosphate (PubChem CID 13319001) has the molecular formula C3H9O4P and a molecular weight of 140.07 g/mol. Its IUPAC name is ethyl methyl hydrogen phosphate.

Molecular Properties

Compound Nameethyl methyl hydrogen phosphate
PubChem CID13319001
Molecular FormulaC3H9O4P
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Nameethyl methyl hydrogen phosphate
SMILESCCOP(=O)(O)OC
InChIInChI=1S/C3H9O4P/c1-3-7-8(4,5)6-2/h3H2,1-2H3,(H,4,5)
InChIKeyXMNQCSOOUOJOLR-UHFFFAOYSA-N
XLogP0.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethyl Phosphate
CID 6535
Diethyl phosphate
CID 654
Diethyl hydrogen phosphite
CID 6327654
Monoisopropyl phosphate
CID 15391
Phosphoric acid, monopropyl ester
CID 74188
Monoethyl phosphate
CID 74190
Ethyl methylphosphonate
CID 449085
Monobutyl phosphate
CID 15389
Dipropyl phosphate
CID 74544
Diethyl phosphoric acid
CID 5166299
Ethyl phosphate(2-)
CID 12691392
Ethyl methylphosphinate
CID 6328184

Frequently Asked Questions

What is the IUPAC name of ethyl methyl hydrogen phosphate?
The IUPAC name of ethyl methyl hydrogen phosphate (CID 13319001) is ethyl methyl hydrogen phosphate.
What is the SMILES notation for ethyl methyl hydrogen phosphate?
The canonical SMILES for ethyl methyl hydrogen phosphate is CCOP(=O)(O)OC.
What is the InChIKey of ethyl methyl hydrogen phosphate?
The InChIKey is XMNQCSOOUOJOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P/c1-3-7-8(4,5)6-2/h3H2,1-2H3,(H,4,5).
What are the key properties of ethyl methyl hydrogen phosphate?
ethyl methyl hydrogen phosphate has a molecular weight of 140.07 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methyl hydrogen phosphate is sourced from PubChem (CID 13319001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).