icos-2-en-3-yl dihydrogen phosphate

C20H41O4P — CID 141312477

IUPACicos-2-en-3-yl dihydrogen phosphate
SMILESCC=C(CCCCCCCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C20H41O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)24-25(21,22)23/h4H,3,5-19H2,1-2H3,(H2,21,22,23)
InChIKeyAJDBVRLDVKICGT-UHFFFAOYSA-N
MW376.52 g/mol
LogP7.26
Rot. Bonds18

About icos-2-en-3-yl dihydrogen phosphate

icos-2-en-3-yl dihydrogen phosphate (PubChem CID 141312477) has the molecular formula C20H41O4P and a molecular weight of 376.52 g/mol. Its IUPAC name is icos-2-en-3-yl dihydrogen phosphate.

Molecular Properties

Compound Nameicos-2-en-3-yl dihydrogen phosphate
PubChem CID141312477
Molecular FormulaC20H41O4P
Molecular Weight376.52 g/mol
Exact Mass376.27
IUPAC Nameicos-2-en-3-yl dihydrogen phosphate
SMILESCC=C(CCCCCCCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C20H41O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)24-25(21,22)23/h4H,3,5-19H2,1-2H3,(H2,21,22,23)
InChIKeyAJDBVRLDVKICGT-UHFFFAOYSA-N
XLogP7.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;phosphono decanoate
CID 173362975
trisodium;hydride;phosphono octadecanoate
CID 175375815
ethene;phosphono octadecanoate;hydrate
CID 175287151
phosphono docos-13-enoate
CID 173153244
neodymium;phosphono (Z)-octadec-9-enoate
CID 175084367
decane;phosphono dihydrogen phosphate
CID 157375636
hexakis(decane);hydroxy dihydrogen phosphate
CID 173398841
dodecane;phosphoric acid
CID 88801558
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
[hydroxy(phosphonooxy)phosphoryl] octadecanoate
CID 175419866
3-hexylnon-2-enyl dihydrogen phosphate
CID 101268223
phosphono butanoate
CID 266

Frequently Asked Questions

What is the IUPAC name of icos-2-en-3-yl dihydrogen phosphate?
The IUPAC name of icos-2-en-3-yl dihydrogen phosphate (CID 141312477) is icos-2-en-3-yl dihydrogen phosphate.
What is the SMILES notation for icos-2-en-3-yl dihydrogen phosphate?
The canonical SMILES for icos-2-en-3-yl dihydrogen phosphate is CC=C(CCCCCCCCCCCCCCCCC)OP(=O)(O)O.
What is the InChIKey of icos-2-en-3-yl dihydrogen phosphate?
The InChIKey is AJDBVRLDVKICGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)24-25(21,22)23/h4H,3,5-19H2,1-2H3,(H2,21,22,23).
What are the key properties of icos-2-en-3-yl dihydrogen phosphate?
icos-2-en-3-yl dihydrogen phosphate has a molecular weight of 376.52 g/mol, XLogP of 7.26, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icos-2-en-3-yl dihydrogen phosphate is sourced from PubChem (CID 141312477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).