[butanoyloxy(methyl)phosphanyl] butanoate

C9H17O4P — CID 23414681

IUPAC[butanoyloxy(methyl)phosphanyl] butanoate
SMILESCCCC(=O)OP(C)OC(=O)CCC
InChIInChI=1S/C9H17O4P/c1-4-6-8(10)12-14(3)13-9(11)7-5-2/h4-7H2,1-3H3
InChIKeyWPAZUGKCPYFNDN-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.61
Rot. Bonds6

About [butanoyloxy(methyl)phosphanyl] butanoate

[butanoyloxy(methyl)phosphanyl] butanoate (PubChem CID 23414681) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is [butanoyloxy(methyl)phosphanyl] butanoate.

Molecular Properties

Compound Name[butanoyloxy(methyl)phosphanyl] butanoate
PubChem CID23414681
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name[butanoyloxy(methyl)phosphanyl] butanoate
SMILESCCCC(=O)OP(C)OC(=O)CCC
InChIInChI=1S/C9H17O4P/c1-4-6-8(10)12-14(3)13-9(11)7-5-2/h4-7H2,1-3H3
InChIKeyWPAZUGKCPYFNDN-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibutanoyl butanedioate
CID 88643975
sodium;butanoyl butanoate;hydride
CID 173362700
chromium;methyl butanoate
CID 174781983
ethyl (1,2-13C2)butanoate
CID 157463359
methyl butanoate;tetrahydrochloride
CID 173289582
ethyl butanoate
CID 7762
chloro butanoate;silver
CID 175006777
potassium;butaneperoxoic acid;hydride
CID 174203200
2-butanoyloxyethyl butanoate;methane
CID 161018761
CID 171374935
CID 171374935
methane;propyl butanoate
CID 157187060
chloromethyl butanoate
CID 2725008

Frequently Asked Questions

What is the IUPAC name of [butanoyloxy(methyl)phosphanyl] butanoate?
The IUPAC name of [butanoyloxy(methyl)phosphanyl] butanoate (CID 23414681) is [butanoyloxy(methyl)phosphanyl] butanoate.
What is the SMILES notation for [butanoyloxy(methyl)phosphanyl] butanoate?
The canonical SMILES for [butanoyloxy(methyl)phosphanyl] butanoate is CCCC(=O)OP(C)OC(=O)CCC.
What is the InChIKey of [butanoyloxy(methyl)phosphanyl] butanoate?
The InChIKey is WPAZUGKCPYFNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-4-6-8(10)12-14(3)13-9(11)7-5-2/h4-7H2,1-3H3.
What are the key properties of [butanoyloxy(methyl)phosphanyl] butanoate?
[butanoyloxy(methyl)phosphanyl] butanoate has a molecular weight of 220.20 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyloxy(methyl)phosphanyl] butanoate is sourced from PubChem (CID 23414681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).