methyl pentadecyl hydrogen phosphate

C16H35O4P — CID 175295583

IUPACmethyl pentadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCOP(=O)(O)OC
InChIInChI=1S/C16H35O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19-2/h3-16H2,1-2H3,(H,17,18)
InChIKeyDHZGJNNEFHOFFY-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.84
Rot. Bonds16

About methyl pentadecyl hydrogen phosphate

methyl pentadecyl hydrogen phosphate (PubChem CID 175295583) has the molecular formula C16H35O4P and a molecular weight of 322.43 g/mol. Its IUPAC name is methyl pentadecyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl pentadecyl hydrogen phosphate
PubChem CID175295583
Molecular FormulaC16H35O4P
Molecular Weight322.43 g/mol
Exact Mass322.23
IUPAC Namemethyl pentadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCOP(=O)(O)OC
InChIInChI=1S/C16H35O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19-2/h3-16H2,1-2H3,(H,17,18)
InChIKeyDHZGJNNEFHOFFY-UHFFFAOYSA-N
XLogP5.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl pentadecyl 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

methyl octyl hydrogen phosphate
CID 13032455
azane;methyl octyl hydrogen phosphate
CID 175087561
methyl octadec-9-enyl hydrogen phosphate
CID 90872406
hexyl nonyl hydrogen phosphate
CID 23169649
decyl dodecyl hydrogen phosphate
CID 20810618
hexadecyl hexyl hydrogen phosphate
CID 15132676
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
didodecyl hydrogen phosphate;nickel
CID 87136164
decyl propyl hydrogen phosphate
CID 87587050
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274

Frequently Asked Questions

What is the IUPAC name of methyl pentadecyl hydrogen phosphate?
The IUPAC name of methyl pentadecyl hydrogen phosphate (CID 175295583) is methyl pentadecyl hydrogen phosphate.
What is the SMILES notation for methyl pentadecyl hydrogen phosphate?
The canonical SMILES for methyl pentadecyl hydrogen phosphate is CCCCCCCCCCCCCCCOP(=O)(O)OC.
What is the InChIKey of methyl pentadecyl hydrogen phosphate?
The InChIKey is DHZGJNNEFHOFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19-2/h3-16H2,1-2H3,(H,17,18).
What are the key properties of methyl pentadecyl hydrogen phosphate?
methyl pentadecyl hydrogen phosphate has a molecular weight of 322.43 g/mol, XLogP of 5.84, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pentadecyl hydrogen phosphate is sourced from PubChem (CID 175295583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).