[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid

C13H25O4P — CID 18605959

IUPAC[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid
SMILESCC(C)=CCC[C@@H](C)CC(=O)C(C)(C)P(=O)(O)O
InChIInChI=1S/C13H25O4P/c1-10(2)7-6-8-11(3)9-12(14)13(4,5)18(15,16)17/h7,11H,6,8-9H2,1-5H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyXYFUNFMTBRPTFR-LLVKDONJSA-N
MW276.31 g/mol
LogP3.28
Rot. Bonds7

About [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid

[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid (PubChem CID 18605959) has the molecular formula C13H25O4P and a molecular weight of 276.31 g/mol. Its IUPAC name is [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid
PubChem CID18605959
Molecular FormulaC13H25O4P
Molecular Weight276.31 g/mol
Exact Mass276.15
IUPAC Name[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid
SMILESCC(C)=CCC[C@@H](C)CC(=O)C(C)(C)P(=O)(O)O
InChIInChI=1S/C13H25O4P/c1-10(2)7-6-8-11(3)9-12(14)13(4,5)18(15,16)17/h7,11H,6,8-9H2,1-5H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyXYFUNFMTBRPTFR-LLVKDONJSA-N
XLogP3.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid?
The IUPAC name of [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid (CID 18605959) is [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid.
What is the SMILES notation for [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid?
The canonical SMILES for [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid is CC(C)=CCC[C@@H](C)CC(=O)C(C)(C)P(=O)(O)O.
What is the InChIKey of [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid?
The InChIKey is XYFUNFMTBRPTFR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25O4P/c1-10(2)7-6-8-11(3)9-12(14)13(4,5)18(15,16)17/h7,11H,6,8-9H2,1-5H3,(H2,15,16,17)/t11-/m1/s1.
What are the key properties of [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid?
[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid has a molecular weight of 276.31 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid is sourced from PubChem (CID 18605959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).