methyl pentan-2-yl hydrogen phosphate

C6H15O4P — CID 138486874

IUPACmethyl pentan-2-yl hydrogen phosphate
SMILESCCCC(C)OP(=O)(O)OC
InChIInChI=1S/C6H15O4P/c1-4-5-6(2)10-11(7,8)9-3/h6H,4-5H2,1-3H3,(H,7,8)
InChIKeyRMUVVSGHFBLVIO-UHFFFAOYSA-N
MW182.16 g/mol
LogP1.94
Rot. Bonds5

About methyl pentan-2-yl hydrogen phosphate

methyl pentan-2-yl hydrogen phosphate (PubChem CID 138486874) has the molecular formula C6H15O4P and a molecular weight of 182.16 g/mol. Its IUPAC name is methyl pentan-2-yl hydrogen phosphate.

Molecular Properties

Compound Namemethyl pentan-2-yl hydrogen phosphate
PubChem CID138486874
Molecular FormulaC6H15O4P
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Namemethyl pentan-2-yl hydrogen phosphate
SMILESCCCC(C)OP(=O)(O)OC
InChIInChI=1S/C6H15O4P/c1-4-5-6(2)10-11(7,8)9-3/h6H,4-5H2,1-3H3,(H,7,8)
InChIKeyRMUVVSGHFBLVIO-UHFFFAOYSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl pentan-2-yl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl(pentan-2-yloxy)phosphinic acid
CID 71328132
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969
dimethyl hydrogen phosphate;methyl(trioctyl)phosphanium
CID 129073670
diheptan-4-yl hydrogen phosphate
CID 22497552
decan-2-yl fluoro hydrogen phosphate
CID 175171865
hept-1-en-3-yl methyl hydrogen phosphate
CID 175860112
2-[amino(propan-2-yloxy)phosphoryl]oxypentane
CID 174170604
2-hexyloctyl octan-2-yl hydrogen phosphate
CID 139608562
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
heptan-4-yl dihydrogen phosphate
CID 18763997
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
dimethyl hydrogen phosphate;methane
CID 88807117

Frequently Asked Questions

What is the IUPAC name of methyl pentan-2-yl hydrogen phosphate?
The IUPAC name of methyl pentan-2-yl hydrogen phosphate (CID 138486874) is methyl pentan-2-yl hydrogen phosphate.
What is the SMILES notation for methyl pentan-2-yl hydrogen phosphate?
The canonical SMILES for methyl pentan-2-yl hydrogen phosphate is CCCC(C)OP(=O)(O)OC.
What is the InChIKey of methyl pentan-2-yl hydrogen phosphate?
The InChIKey is RMUVVSGHFBLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P/c1-4-5-6(2)10-11(7,8)9-3/h6H,4-5H2,1-3H3,(H,7,8).
What are the key properties of methyl pentan-2-yl hydrogen phosphate?
methyl pentan-2-yl hydrogen phosphate has a molecular weight of 182.16 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pentan-2-yl hydrogen phosphate is sourced from PubChem (CID 138486874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).