10-phosphonodecanoic acid

C10H21O5P — CID 87400342

IUPAC10-phosphonodecanoic acid
SMILESO=C(O)CCCCCCCCCP(=O)(O)O
InChIInChI=1S/C10H21O5P/c11-10(12)8-6-4-2-1-3-5-7-9-16(13,14)15/h1-9H2,(H,11,12)(H2,13,14,15)
InChIKeyCBQUBXVXUJPCOT-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.37
Rot. Bonds10

About 10-phosphonodecanoic acid

10-phosphonodecanoic acid (PubChem CID 87400342) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is 10-phosphonodecanoic acid.

Molecular Properties

Compound Name10-phosphonodecanoic acid
PubChem CID87400342
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name10-phosphonodecanoic acid
SMILESO=C(O)CCCCCCCCCP(=O)(O)O
InChIInChI=1S/C10H21O5P/c11-10(12)8-6-4-2-1-3-5-7-9-16(13,14)15/h1-9H2,(H,11,12)(H2,13,14,15)
InChIKeyCBQUBXVXUJPCOT-UHFFFAOYSA-N
XLogP2.37
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

17-phosphonoheptadecanoic acid
CID 87457522
33-phosphonotritriacontanoic acid
CID 87686825
5-phosphonopentylphosphonic acid
CID 2773804
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 10-phosphonodecanoic acid?
The IUPAC name of 10-phosphonodecanoic acid (CID 87400342) is 10-phosphonodecanoic acid.
What is the SMILES notation for 10-phosphonodecanoic acid?
The canonical SMILES for 10-phosphonodecanoic acid is O=C(O)CCCCCCCCCP(=O)(O)O.
What is the InChIKey of 10-phosphonodecanoic acid?
The InChIKey is CBQUBXVXUJPCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O5P/c11-10(12)8-6-4-2-1-3-5-7-9-16(13,14)15/h1-9H2,(H,11,12)(H2,13,14,15).
What are the key properties of 10-phosphonodecanoic acid?
10-phosphonodecanoic acid has a molecular weight of 252.25 g/mol, XLogP of 2.37, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phosphonodecanoic acid is sourced from PubChem (CID 87400342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).