2,7-bis(phosphanyl)octanedioic acid

C8H16O4P2 — CID 88597780

IUPAC2,7-bis(phosphanyl)octanedioic acid
SMILESO=C(O)C(P)CCCCC(P)C(=O)O
InChIInChI=1S/C8H16O4P2/c9-7(10)5(13)3-1-2-4-6(14)8(11)12/h5-6H,1-4,13-14H2,(H,9,10)(H,11,12)
InChIKeySKWJLDRPXXXPBH-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.20
Rot. Bonds7

About 2,7-bis(phosphanyl)octanedioic acid

2,7-bis(phosphanyl)octanedioic acid (PubChem CID 88597780) has the molecular formula C8H16O4P2 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2,7-bis(phosphanyl)octanedioic acid.

Molecular Properties

Compound Name2,7-bis(phosphanyl)octanedioic acid
PubChem CID88597780
Molecular FormulaC8H16O4P2
Molecular Weight238.16 g/mol
Exact Mass238.05
IUPAC Name2,7-bis(phosphanyl)octanedioic acid
SMILESO=C(O)C(P)CCCCC(P)C(=O)O
InChIInChI=1S/C8H16O4P2/c9-7(10)5(13)3-1-2-4-6(14)8(11)12/h5-6H,1-4,13-14H2,(H,9,10)(H,11,12)
InChIKeySKWJLDRPXXXPBH-UHFFFAOYSA-N
XLogP1.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
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

2,7-dimethoxyoctanedioic acid
CID 22717305
2-phosphanylbutanedioic acid
CID 19911180
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-methoxyhexanoic acid
CID 129373931
2,3,14,15-tetramethylhexadecanedioic acid
CID 101494126
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-(7-aminoheptyl)propanedioic acid
CID 90276909

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(phosphanyl)octanedioic acid?
The IUPAC name of 2,7-bis(phosphanyl)octanedioic acid (CID 88597780) is 2,7-bis(phosphanyl)octanedioic acid.
What is the SMILES notation for 2,7-bis(phosphanyl)octanedioic acid?
The canonical SMILES for 2,7-bis(phosphanyl)octanedioic acid is O=C(O)C(P)CCCCC(P)C(=O)O.
What is the InChIKey of 2,7-bis(phosphanyl)octanedioic acid?
The InChIKey is SKWJLDRPXXXPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4P2/c9-7(10)5(13)3-1-2-4-6(14)8(11)12/h5-6H,1-4,13-14H2,(H,9,10)(H,11,12).
What are the key properties of 2,7-bis(phosphanyl)octanedioic acid?
2,7-bis(phosphanyl)octanedioic acid has a molecular weight of 238.16 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(phosphanyl)octanedioic acid is sourced from PubChem (CID 88597780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).