[butyl(propyl)phosphoryl]formic acid

C8H17O3P — CID 87461949

IUPAC[butyl(propyl)phosphoryl]formic acid
SMILESCCCCP(=O)(CCC)C(=O)O
InChIInChI=1S/C8H17O3P/c1-3-5-7-12(11,6-4-2)8(9)10/h3-7H2,1-2H3,(H,9,10)
InChIKeyLHMFPWOPSMXMHL-UHFFFAOYSA-N
MW192.19 g/mol
LogP3.24
Rot. Bonds6

About [butyl(propyl)phosphoryl]formic acid

[butyl(propyl)phosphoryl]formic acid (PubChem CID 87461949) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is [butyl(propyl)phosphoryl]formic acid.

Molecular Properties

Compound Name[butyl(propyl)phosphoryl]formic acid
PubChem CID87461949
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name[butyl(propyl)phosphoryl]formic acid
SMILESCCCCP(=O)(CCC)C(=O)O
InChIInChI=1S/C8H17O3P/c1-3-5-7-12(11,6-4-2)8(9)10/h3-7H2,1-2H3,(H,9,10)
InChIKeyLHMFPWOPSMXMHL-UHFFFAOYSA-N
XLogP3.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;butyl(propyl)phosphinic acid
CID 174987333
butylphosphonic acid;neodymium
CID 134499527
butyl(methyl)phosphinic acid
CID 10909622
2-(tributyl-λ5-phosphanylidene)propanedioic acid
CID 87547445
carbonic acid;bis(hexane)
CID 173367789
CID 172720905
CID 172720905
[ethyl(methyl)phosphoryl]formic acid
CID 87463056
potassium;butylphosphonic acid;hydride
CID 174388690
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
1-dibutylphosphoryl-2-methyl-2-phenylbutan-1-one
CID 22910527
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
dibutylphosphorylmethanol
CID 5219006

Frequently Asked Questions

What is the IUPAC name of [butyl(propyl)phosphoryl]formic acid?
The IUPAC name of [butyl(propyl)phosphoryl]formic acid (CID 87461949) is [butyl(propyl)phosphoryl]formic acid.
What is the SMILES notation for [butyl(propyl)phosphoryl]formic acid?
The canonical SMILES for [butyl(propyl)phosphoryl]formic acid is CCCCP(=O)(CCC)C(=O)O.
What is the InChIKey of [butyl(propyl)phosphoryl]formic acid?
The InChIKey is LHMFPWOPSMXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-3-5-7-12(11,6-4-2)8(9)10/h3-7H2,1-2H3,(H,9,10).
What are the key properties of [butyl(propyl)phosphoryl]formic acid?
[butyl(propyl)phosphoryl]formic acid has a molecular weight of 192.19 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(propyl)phosphoryl]formic acid is sourced from PubChem (CID 87461949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).