butan-2-yloxy(cyclopropyl)phosphinic acid

C7H15O3P — CID 87173163

IUPACbutan-2-yloxy(cyclopropyl)phosphinic acid
SMILESCCC(C)OP(=O)(O)C1CC1
InChIInChI=1S/C7H15O3P/c1-3-6(2)10-11(8,9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,8,9)
InChIKeyWWIXJKXTFIDGFP-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.15
Rot. Bonds4

About butan-2-yloxy(cyclopropyl)phosphinic acid

butan-2-yloxy(cyclopropyl)phosphinic acid (PubChem CID 87173163) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is butan-2-yloxy(cyclopropyl)phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy(cyclopropyl)phosphinic acid
PubChem CID87173163
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Namebutan-2-yloxy(cyclopropyl)phosphinic acid
SMILESCCC(C)OP(=O)(O)C1CC1
InChIInChI=1S/C7H15O3P/c1-3-6(2)10-11(8,9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,8,9)
InChIKeyWWIXJKXTFIDGFP-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.15
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

tributan-2-yl phosphate
CID 11482502
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
acetyl(butan-2-yloxy)phosphinic acid
CID 87198875
butan-2-yl dipropan-2-yl phosphate
CID 71379379
dipotassium;butan-2-yl phosphate
CID 21353345
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887
cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid
CID 101008990
3-aminopropyl(butan-2-yloxy)phosphinic acid
CID 87168321
2-[butan-2-yloxy-(diethoxyphosphorylamino)phosphoryl]oxybutane
CID 4054615
butan-2-yloxy-(3-ethoxycarbonyl-2,2-dimethylcyclopropanecarbonyl)phosphinic acid
CID 88745171
2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy(cyclopropyl)phosphinic acid?
The IUPAC name of butan-2-yloxy(cyclopropyl)phosphinic acid (CID 87173163) is butan-2-yloxy(cyclopropyl)phosphinic acid.
What is the SMILES notation for butan-2-yloxy(cyclopropyl)phosphinic acid?
The canonical SMILES for butan-2-yloxy(cyclopropyl)phosphinic acid is CCC(C)OP(=O)(O)C1CC1.
What is the InChIKey of butan-2-yloxy(cyclopropyl)phosphinic acid?
The InChIKey is WWIXJKXTFIDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-3-6(2)10-11(8,9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of butan-2-yloxy(cyclopropyl)phosphinic acid?
butan-2-yloxy(cyclopropyl)phosphinic acid has a molecular weight of 178.17 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy(cyclopropyl)phosphinic acid is sourced from PubChem (CID 87173163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).