10-[ethoxy(hydroxy)phosphoryl]decanoic acid

C12H25O5P — CID 22016460

IUPAC10-[ethoxy(hydroxy)phosphoryl]decanoic acid
SMILESCCOP(=O)(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C12H25O5P/c1-2-17-18(15,16)11-9-7-5-3-4-6-8-10-12(13)14/h2-11H2,1H3,(H,13,14)(H,15,16)
InChIKeyMTBFIHMQGBTZSJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.41
Rot. Bonds12

About 10-[ethoxy(hydroxy)phosphoryl]decanoic acid

10-[ethoxy(hydroxy)phosphoryl]decanoic acid (PubChem CID 22016460) has the molecular formula C12H25O5P and a molecular weight of 280.30 g/mol. Its IUPAC name is 10-[ethoxy(hydroxy)phosphoryl]decanoic acid.

Molecular Properties

Compound Name10-[ethoxy(hydroxy)phosphoryl]decanoic acid
PubChem CID22016460
Molecular FormulaC12H25O5P
Molecular Weight280.30 g/mol
Exact Mass280.14
IUPAC Name10-[ethoxy(hydroxy)phosphoryl]decanoic acid
SMILESCCOP(=O)(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C12H25O5P/c1-2-17-18(15,16)11-9-7-5-3-4-6-8-10-12(13)14/h2-11H2,1H3,(H,13,14)(H,15,16)
InChIKeyMTBFIHMQGBTZSJ-UHFFFAOYSA-N
XLogP3.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.41
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

13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
17-phosphonoheptadecanoic acid
CID 87457522
10-phosphonodecanoic acid
CID 87400342
33-phosphonotritriacontanoic acid
CID 87686825
ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
octadecanoic acid;phosphoric acid
CID 160712069

Frequently Asked Questions

What is the IUPAC name of 10-[ethoxy(hydroxy)phosphoryl]decanoic acid?
The IUPAC name of 10-[ethoxy(hydroxy)phosphoryl]decanoic acid (CID 22016460) is 10-[ethoxy(hydroxy)phosphoryl]decanoic acid.
What is the SMILES notation for 10-[ethoxy(hydroxy)phosphoryl]decanoic acid?
The canonical SMILES for 10-[ethoxy(hydroxy)phosphoryl]decanoic acid is CCOP(=O)(O)CCCCCCCCCC(=O)O.
What is the InChIKey of 10-[ethoxy(hydroxy)phosphoryl]decanoic acid?
The InChIKey is MTBFIHMQGBTZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O5P/c1-2-17-18(15,16)11-9-7-5-3-4-6-8-10-12(13)14/h2-11H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 10-[ethoxy(hydroxy)phosphoryl]decanoic acid?
10-[ethoxy(hydroxy)phosphoryl]decanoic acid has a molecular weight of 280.30 g/mol, XLogP of 3.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[ethoxy(hydroxy)phosphoryl]decanoic acid is sourced from PubChem (CID 22016460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).