carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol

C6H14ClO6P — CID 88813503

IUPACcarbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol
SMILESCCOP(=O)(CC)OCO.O=C(O)Cl
InChIInChI=1S/C5H13O4P.CHClO2/c1-3-8-10(7,4-2)9-5-6;2-1(3)4/h6H,3-5H2,1-2H3;(H,3,4)
InChIKeyRXGPUQGEVIEJTE-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.11
Rot. Bonds5

About carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol

carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol (PubChem CID 88813503) has the molecular formula C6H14ClO6P and a molecular weight of 248.60 g/mol. Its IUPAC name is carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol.

Molecular Properties

Compound Namecarbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol
PubChem CID88813503
Molecular FormulaC6H14ClO6P
Molecular Weight248.60 g/mol
Exact Mass248.02
IUPAC Namecarbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol
SMILESCCOP(=O)(CC)OCO.O=C(O)Cl
InChIInChI=1S/C5H13O4P.CHClO2/c1-3-8-10(7,4-2)9-5-6;2-1(3)4/h6H,3-5H2,1-2H3;(H,3,4)
InChIKeyRXGPUQGEVIEJTE-UHFFFAOYSA-N
XLogP2.11
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
sodium diethoxyphosphorylmethanol
CID 22274944
ethyl hydroxymethyl phosphate
CID 153073426
1-[ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane
CID 57178539
[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
CID 129169212
methyl 4-[ethoxy(ethyl)phosphoryl]oxy-3-methylbut-2-enoate
CID 88829900
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
acetic acid;triethyl phosphate
CID 161446956
[ethoxy(ethyl)phosphoryl]oxymethylcyclopropane
CID 87083673
4-diethoxyphosphoryl-1-hydroxybutan-2-one
CID 11009594
1-[ethoxy(ethyl)phosphoryl]oxyheptane
CID 88847628
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol?
The IUPAC name of carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol (CID 88813503) is carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol.
What is the SMILES notation for carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol?
The canonical SMILES for carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol is CCOP(=O)(CC)OCO.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol?
The InChIKey is RXGPUQGEVIEJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4P.CHClO2/c1-3-8-10(7,4-2)9-5-6;2-1(3)4/h6H,3-5H2,1-2H3;(H,3,4).
What are the key properties of carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol?
carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol has a molecular weight of 248.60 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol is sourced from PubChem (CID 88813503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).