2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid

C10H21O4P — CID 58988671

IUPAC2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid
SMILESCCCC(CP(=O)(O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H21O4P/c1-5-6-8(9(11)12)7-15(13,14)10(2,3)4/h8H,5-7H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyPUMZADFJXXKULX-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.56
Rot. Bonds5

About 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid

2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid (PubChem CID 58988671) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid
PubChem CID58988671
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid
SMILESCCCC(CP(=O)(O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H21O4P/c1-5-6-8(9(11)12)7-15(13,14)10(2,3)4/h8H,5-7H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyPUMZADFJXXKULX-UHFFFAOYSA-N
XLogP2.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.56
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

2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
formic acid;2-propylpentanoic acid
CID 87531584
(2S)-2-propylbutanedioic acid
CID 12648185
2-(2-tert-butylsulfonylethyl)pentanoic acid
CID 106727777

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid?
The IUPAC name of 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid (CID 58988671) is 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid?
The canonical SMILES for 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid is CCCC(CP(=O)(O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid?
The InChIKey is PUMZADFJXXKULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-5-6-8(9(11)12)7-15(13,14)10(2,3)4/h8H,5-7H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid?
2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid has a molecular weight of 236.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(hydroxy)phosphoryl]methyl]pentanoic acid is sourced from PubChem (CID 58988671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).