7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid

C11H21O5P — CID 100975379

IUPAC7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid
SMILESCC(=O)C(CCCCCC(=O)O)CP(C)(=O)O
InChIInChI=1S/C11H21O5P/c1-9(12)10(8-17(2,15)16)6-4-3-5-7-11(13)14/h10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBFRVTVXBYNJJHP-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.13
Rot. Bonds9

About 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid

7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid (PubChem CID 100975379) has the molecular formula C11H21O5P and a molecular weight of 264.26 g/mol. Its IUPAC name is 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid.

Molecular Properties

Compound Name7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid
PubChem CID100975379
Molecular FormulaC11H21O5P
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid
SMILESCC(=O)C(CCCCCC(=O)O)CP(C)(=O)O
InChIInChI=1S/C11H21O5P/c1-9(12)10(8-17(2,15)16)6-4-3-5-7-11(13)14/h10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBFRVTVXBYNJJHP-UHFFFAOYSA-N
XLogP2.13
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-acetyloctadecanoic acid
CID 23455085
(8S,12R)-8-acetyl-12-hydroxytridecanoic acid
CID 129396183
11-methyldodecanoic acid;phosphoric acid
CID 130194142
henicosane-1,11,21-tricarboxylic acid
CID 12632759
2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid
CID 87930790
11-(1-carboxyethenyl)henicosanedioic acid
CID 19780595
2-ethylhexadecanedioic acid
CID 88785674
6-methyl-7-oxooctanoic acid
CID 71756573
dodecanoic acid;2-hexyldodecanoic acid
CID 161039741
2-octyltetradecanedioic acid
CID 21327661
hentriacontane-1,19,26-tricarboxylic acid
CID 174861570
2-octyltridecanedioic acid
CID 4026101

Frequently Asked Questions

What is the IUPAC name of 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid?
The IUPAC name of 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid (CID 100975379) is 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid.
What is the SMILES notation for 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid?
The canonical SMILES for 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid is CC(=O)C(CCCCCC(=O)O)CP(C)(=O)O.
What is the InChIKey of 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid?
The InChIKey is BFRVTVXBYNJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O5P/c1-9(12)10(8-17(2,15)16)6-4-3-5-7-11(13)14/h10H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid?
7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid has a molecular weight of 264.26 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[hydroxy(methyl)phosphoryl]methyl]-8-oxononanoic acid is sourced from PubChem (CID 100975379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).