(2,5-dimethyl-3-oxononan-2-yl)phosphonic acid

C11H23O4P — CID 88707841

IUPAC(2,5-dimethyl-3-oxononan-2-yl)phosphonic acid
SMILESCCCCC(C)CC(=O)C(C)(C)P(=O)(O)O
InChIInChI=1S/C11H23O4P/c1-5-6-7-9(2)8-10(12)11(3,4)16(13,14)15/h9H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyBLSXRFFSEWVNNM-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.73
Rot. Bonds7

About (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid

(2,5-dimethyl-3-oxononan-2-yl)phosphonic acid (PubChem CID 88707841) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2,5-dimethyl-3-oxononan-2-yl)phosphonic acid
PubChem CID88707841
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name(2,5-dimethyl-3-oxononan-2-yl)phosphonic acid
SMILESCCCCC(C)CC(=O)C(C)(C)P(=O)(O)O
InChIInChI=1S/C11H23O4P/c1-5-6-7-9(2)8-10(12)11(3,4)16(13,14)15/h9H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyBLSXRFFSEWVNNM-UHFFFAOYSA-N
XLogP2.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid
CID 18605959
2,2,5-trimethylundecan-3-one
CID 177435027
6,10-dimethylpentadecan-8-one
CID 150688801
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
tert-butyl 5-methyl-3-oxononanoate
CID 57036646
3-methyloctanoic acid
CID 5312327
tert-butyl 3-methyloctanoate
CID 118562795
butyl(2-methylheptan-3-yl)phosphinic acid
CID 88778488
sulfanyl 3-methylheptanoate
CID 174963381
5-methyltridecan-7-one
CID 71413449
(3S)-3-methylhexadecanoic acid
CID 54227409
3-methylnonadecanoic acid
CID 13392624

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid?
The IUPAC name of (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid (CID 88707841) is (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid.
What is the SMILES notation for (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid?
The canonical SMILES for (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid is CCCCC(C)CC(=O)C(C)(C)P(=O)(O)O.
What is the InChIKey of (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid?
The InChIKey is BLSXRFFSEWVNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-5-6-7-9(2)8-10(12)11(3,4)16(13,14)15/h9H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid?
(2,5-dimethyl-3-oxononan-2-yl)phosphonic acid has a molecular weight of 250.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-3-oxononan-2-yl)phosphonic acid is sourced from PubChem (CID 88707841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).