1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid

C6H11O6P — CID 13333698

IUPAC1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid
SMILESCOP(=O)(OC)OC1(C(=O)O)CC1
InChIInChI=1S/C6H11O6P/c1-10-13(9,11-2)12-6(3-4-6)5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyNXVJKDFKVXSQNE-UHFFFAOYSA-N
MW210.12 g/mol
LogP1.02
Rot. Bonds5

About 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid

1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid (PubChem CID 13333698) has the molecular formula C6H11O6P and a molecular weight of 210.12 g/mol. Its IUPAC name is 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid
PubChem CID13333698
Molecular FormulaC6H11O6P
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Name1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid
SMILESCOP(=O)(OC)OC1(C(=O)O)CC1
InChIInChI=1S/C6H11O6P/c1-10-13(9,11-2)12-6(3-4-6)5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyNXVJKDFKVXSQNE-UHFFFAOYSA-N
XLogP1.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid?
The IUPAC name of 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid (CID 13333698) is 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid?
The canonical SMILES for 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid is COP(=O)(OC)OC1(C(=O)O)CC1.
What is the InChIKey of 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid?
The InChIKey is NXVJKDFKVXSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O6P/c1-10-13(9,11-2)12-6(3-4-6)5(7)8/h3-4H2,1-2H3,(H,7,8).
What are the key properties of 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid?
1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid has a molecular weight of 210.12 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryloxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 13333698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).