CID 170842594

C16H35K2O4P — CID 170842594

IUPAC—
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.[K].[K]
InChIInChI=1S/C16H35O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;
InChIKeyNCEUISWTOVFIOY-UHFFFAOYSA-N
MW400.62 g/mol
LogP4.82
Rot. Bonds16

About CID 170842594

CID 170842594 (PubChem CID 170842594) has the molecular formula C16H35K2O4P and a molecular weight of 400.62 g/mol.

Molecular Properties

Compound NameCID 170842594
PubChem CID170842594
Molecular FormulaC16H35K2O4P
Molecular Weight400.62 g/mol
Exact Mass400.15
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.[K].[K]
InChIInChI=1S/C16H35O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;
InChIKeyNCEUISWTOVFIOY-UHFFFAOYSA-N
XLogP4.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 170843971
CID 170843971
pentatriacontyl dihydrogen phosphate
CID 164897229
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
azane;octadecyl dihydrogen phosphate
CID 87905459
dodecyl dihydrogen phosphate;indigane
CID 173026750
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of CID 170842594?
The IUPAC name of CID 170842594 (CID 170842594) is not available.
What is the SMILES notation for CID 170842594?
The canonical SMILES for CID 170842594 is CCCCCCCCCCCCCCCCOP(=O)(O)O.[K].[K].
What is the InChIKey of CID 170842594?
The InChIKey is NCEUISWTOVFIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;.
What are the key properties of CID 170842594?
CID 170842594 has a molecular weight of 400.62 g/mol, XLogP of 4.82, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170842594 is sourced from PubChem (CID 170842594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).