4,4-bis(phosphanyl)heptanedioic acid

C7H14O4P2 — CID 174834569

IUPAC4,4-bis(phosphanyl)heptanedioic acid
SMILESO=C(O)CCC(P)(P)CCC(=O)O
InChIInChI=1S/C7H14O4P2/c8-5(9)1-3-7(12,13)4-2-6(10)11/h1-4,12-13H2,(H,8,9)(H,10,11)
InChIKeyTWRQVWSHNPZFMR-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.16
Rot. Bonds6

About 4,4-bis(phosphanyl)heptanedioic acid

4,4-bis(phosphanyl)heptanedioic acid (PubChem CID 174834569) has the molecular formula C7H14O4P2 and a molecular weight of 224.13 g/mol. Its IUPAC name is 4,4-bis(phosphanyl)heptanedioic acid.

Molecular Properties

Compound Name4,4-bis(phosphanyl)heptanedioic acid
PubChem CID174834569
Molecular FormulaC7H14O4P2
Molecular Weight224.13 g/mol
Exact Mass224.04
IUPAC Name4,4-bis(phosphanyl)heptanedioic acid
SMILESO=C(O)CCC(P)(P)CCC(=O)O
InChIInChI=1S/C7H14O4P2/c8-5(9)1-3-7(12,13)4-2-6(10)11/h1-4,12-13H2,(H,8,9)(H,10,11)
InChIKeyTWRQVWSHNPZFMR-UHFFFAOYSA-N
XLogP1.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.16
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

4,4-dihydroxyheptanedioic acid
CID 87892288
2-phosphanylbutane-1,2,4-tricarboxylic acid
CID 15793163
4,4-diaminoheptanedioic acid
CID 158684867
4-amino-4-methylpentanoic acid
CID 158438218
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
4-ethyl-4-hydroxyhexanoic acid
CID 18462839

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(phosphanyl)heptanedioic acid?
The IUPAC name of 4,4-bis(phosphanyl)heptanedioic acid (CID 174834569) is 4,4-bis(phosphanyl)heptanedioic acid.
What is the SMILES notation for 4,4-bis(phosphanyl)heptanedioic acid?
The canonical SMILES for 4,4-bis(phosphanyl)heptanedioic acid is O=C(O)CCC(P)(P)CCC(=O)O.
What is the InChIKey of 4,4-bis(phosphanyl)heptanedioic acid?
The InChIKey is TWRQVWSHNPZFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4P2/c8-5(9)1-3-7(12,13)4-2-6(10)11/h1-4,12-13H2,(H,8,9)(H,10,11).
What are the key properties of 4,4-bis(phosphanyl)heptanedioic acid?
4,4-bis(phosphanyl)heptanedioic acid has a molecular weight of 224.13 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(phosphanyl)heptanedioic acid is sourced from PubChem (CID 174834569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).