[5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid

C22H25O15P — CID 130310750

IUPAC[5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid
SMILESC=C1OC(C)=C(COC(=O)CCC(CP(=O)(O)OCc2oc(=O)oc2C)C(=O)OCc2oc(=O)oc2C)O1
InChIInChI=1S/C22H25O15P/c1-11-16(35-14(4)32-11)7-29-19(23)6-5-15(20(24)30-8-17-12(2)33-21(25)36-17)10-38(27,28)31-9-18-13(3)34-22(26)37-18/h15H,4-10H2,1-3H3,(H,27,28)
InChIKeyUKEDRCAEVUBRHT-UHFFFAOYSA-N
MW560.40 g/mol
LogP2.53
Rot. Bonds13

About [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid

[5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid (PubChem CID 130310750) has the molecular formula C22H25O15P and a molecular weight of 560.40 g/mol. Its IUPAC name is [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid.

Molecular Properties

Compound Name[5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid
PubChem CID130310750
Molecular FormulaC22H25O15P
Molecular Weight560.40 g/mol
Exact Mass560.09
IUPAC Name[5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid
SMILESC=C1OC(C)=C(COC(=O)CCC(CP(=O)(O)OCc2oc(=O)oc2C)C(=O)OCc2oc(=O)oc2C)O1
InChIInChI=1S/C22H25O15P/c1-11-16(35-14(4)32-11)7-29-19(23)6-5-15(20(24)30-8-17-12(2)33-21(25)36-17)10-38(27,28)31-9-18-13(3)34-22(26)37-18/h15H,4-10H2,1-3H3,(H,27,28)
InChIKeyUKEDRCAEVUBRHT-UHFFFAOYSA-N
XLogP2.53
TPSA204.29 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid?
The IUPAC name of [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid (CID 130310750) is [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid.
What is the SMILES notation for [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid?
The canonical SMILES for [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid is C=C1OC(C)=C(COC(=O)CCC(CP(=O)(O)OCc2oc(=O)oc2C)C(=O)OCc2oc(=O)oc2C)O1.
What is the InChIKey of [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid?
The InChIKey is UKEDRCAEVUBRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25O15P/c1-11-16(35-14(4)32-11)7-29-19(23)6-5-15(20(24)30-8-17-12(2)33-21(25)36-17)10-38(27,28)31-9-18-13(3)34-22(26)37-18/h15H,4-10H2,1-3H3,(H,27,28).
What are the key properties of [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid?
[5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid has a molecular weight of 560.40 g/mol, XLogP of 2.53, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]-5-oxopentyl]-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphinic acid is sourced from PubChem (CID 130310750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).