ethyl 16-methylheptadecyl hydrogen phosphate

C20H43O4P — CID 174994214

IUPACethyl 16-methylheptadecyl hydrogen phosphate
SMILESCCOP(=O)(O)OCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H43O4P/c1-4-23-25(21,22)24-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(2)3/h20H,4-19H2,1-3H3,(H,21,22)
InChIKeyWHVBMJVMMKUHPG-UHFFFAOYSA-N
MW378.53 g/mol
LogP7.26
Rot. Bonds19

About ethyl 16-methylheptadecyl hydrogen phosphate

ethyl 16-methylheptadecyl hydrogen phosphate (PubChem CID 174994214) has the molecular formula C20H43O4P and a molecular weight of 378.53 g/mol. Its IUPAC name is ethyl 16-methylheptadecyl hydrogen phosphate.

Molecular Properties

Compound Nameethyl 16-methylheptadecyl hydrogen phosphate
PubChem CID174994214
Molecular FormulaC20H43O4P
Molecular Weight378.53 g/mol
Exact Mass378.29
IUPAC Nameethyl 16-methylheptadecyl hydrogen phosphate
SMILESCCOP(=O)(O)OCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H43O4P/c1-4-23-25(21,22)24-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(2)3/h20H,4-19H2,1-3H3,(H,21,22)
InChIKeyWHVBMJVMMKUHPG-UHFFFAOYSA-N
XLogP7.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.53
LogP ≤ 57.26
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 ethyl 16-methylheptadecyl 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

bis(20-methylhenicosyl) hydrogen phosphate
CID 141458391
bis(12-methyltridecyl) hydrogen phosphate
CID 141458390
bis(10-methylundecyl) hydrogen phosphate;ethane-1,1,1,2,2,2-hexol
CID 175031846
[hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
CID 534663
methyl 6-methylheptyl hydrogen phosphate
CID 174422400
bis(6-methylheptyl) hydrogen phosphate;tetradecan-1-amine
CID 175403528
2-[ethyl(methyl)amino]ethyl 15-methylhexadecyl hydrogen phosphate
CID 121391964
6-methylheptoxy 6-methylheptyl hydrogen phosphate
CID 171569206
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
[hydroxy(8-methylnonoxy)phosphoryl] phosphono hydrogen phosphate
CID 141159700
2,3-dihydroxypropyl 16-methylheptadecyl hydrogen phosphate
CID 87276102
2-ethylhexyl 8-methylnonyl hydrogen phosphate
CID 174470689

Frequently Asked Questions

What is the IUPAC name of ethyl 16-methylheptadecyl hydrogen phosphate?
The IUPAC name of ethyl 16-methylheptadecyl hydrogen phosphate (CID 174994214) is ethyl 16-methylheptadecyl hydrogen phosphate.
What is the SMILES notation for ethyl 16-methylheptadecyl hydrogen phosphate?
The canonical SMILES for ethyl 16-methylheptadecyl hydrogen phosphate is CCOP(=O)(O)OCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of ethyl 16-methylheptadecyl hydrogen phosphate?
The InChIKey is WHVBMJVMMKUHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O4P/c1-4-23-25(21,22)24-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(2)3/h20H,4-19H2,1-3H3,(H,21,22).
What are the key properties of ethyl 16-methylheptadecyl hydrogen phosphate?
ethyl 16-methylheptadecyl hydrogen phosphate has a molecular weight of 378.53 g/mol, XLogP of 7.26, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 16-methylheptadecyl hydrogen phosphate is sourced from PubChem (CID 174994214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).