phosphoric acid;tripropyl phosphite

C9H24O7P2 — CID 172682927

IUPACphosphoric acid;tripropyl phosphite
SMILESCCCOP(OCCC)OCCC.O=P(O)(O)O
InChIInChI=1S/C9H21O3P.H3O4P/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H3,1,2,3,4)
InChIKeyAQNBZRFZZPQBIV-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.56
Rot. Bonds9

About phosphoric acid;tripropyl phosphite

phosphoric acid;tripropyl phosphite (PubChem CID 172682927) has the molecular formula C9H24O7P2 and a molecular weight of 306.23 g/mol. Its IUPAC name is phosphoric acid;tripropyl phosphite.

Molecular Properties

Compound Namephosphoric acid;tripropyl phosphite
PubChem CID172682927
Molecular FormulaC9H24O7P2
Molecular Weight306.23 g/mol
Exact Mass306.10
IUPAC Namephosphoric acid;tripropyl phosphite
SMILESCCCOP(OCCC)OCCC.O=P(O)(O)O
InChIInChI=1S/C9H21O3P.H3O4P/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H3,1,2,3,4)
InChIKeyAQNBZRFZZPQBIV-UHFFFAOYSA-N
XLogP2.56
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butane;methane;phosphoric acid;hydrate
CID 173079168
CID 91053846
CID 91053846
propyl dihydrogen phosphate;urea
CID 88818408
dipropoxyphosphorylmethylphosphonic acid
CID 57255852
dichloro(propoxy)phosphane
CID 536189
dodecane;phosphoric acid
CID 88801558
phosphoric acid;propane-1-thiol
CID 22065553
triheptadecyl phosphite
CID 23435031
phosphoric acid;2-(propoxyamino)ethanol
CID 174665335
phosphane;phosphoric acid
CID 173160232
phosphane;phosphoric acid
CID 172840180
cyclopropyl dipropyl phosphite
CID 141234416

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;tripropyl phosphite?
The IUPAC name of phosphoric acid;tripropyl phosphite (CID 172682927) is phosphoric acid;tripropyl phosphite.
What is the SMILES notation for phosphoric acid;tripropyl phosphite?
The canonical SMILES for phosphoric acid;tripropyl phosphite is CCCOP(OCCC)OCCC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;tripropyl phosphite?
The InChIKey is AQNBZRFZZPQBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P.H3O4P/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;tripropyl phosphite?
phosphoric acid;tripropyl phosphite has a molecular weight of 306.23 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;tripropyl phosphite is sourced from PubChem (CID 172682927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).