(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid

C8H16O6P2 — CID 22212406

IUPAC(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid
SMILESC=C1CC1(P(=O)(O)O)P(=O)(OCC)OCC
InChIInChI=1S/C8H16O6P2/c1-4-13-16(12,14-5-2)8(6-7(8)3)15(9,10)11/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyVTZSWKRGYWQFFO-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.09
Rot. Bonds6

About (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid

(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid (PubChem CID 22212406) has the molecular formula C8H16O6P2 and a molecular weight of 270.16 g/mol. Its IUPAC name is (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid.

Molecular Properties

Compound Name(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid
PubChem CID22212406
Molecular FormulaC8H16O6P2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid
SMILESC=C1CC1(P(=O)(O)O)P(=O)(OCC)OCC
InChIInChI=1S/C8H16O6P2/c1-4-13-16(12,14-5-2)8(6-7(8)3)15(9,10)11/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyVTZSWKRGYWQFFO-UHFFFAOYSA-N
XLogP2.09
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(diethoxyphosphoryl)-3-methyl-4-methylidenecyclopentane
CID 102483175
1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine
CID 59127622
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid
CID 58212588
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenylcyclopropan-1-amine;cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 123953131
diethyl hydrogen phosphate;sulfane
CID 88774651
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 54611578
CID 54611578
CID 87495286
CID 87495286
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393

Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid?
The IUPAC name of (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid (CID 22212406) is (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid.
What is the SMILES notation for (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid?
The canonical SMILES for (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid is C=C1CC1(P(=O)(O)O)P(=O)(OCC)OCC.
What is the InChIKey of (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid?
The InChIKey is VTZSWKRGYWQFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6P2/c1-4-13-16(12,14-5-2)8(6-7(8)3)15(9,10)11/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid?
(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid has a molecular weight of 270.16 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid is sourced from PubChem (CID 22212406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).