[(E)-hex-1-enyl] dihydrogen phosphate

C6H13O4P — CID 19800837

IUPAC[(E)-hex-1-enyl] dihydrogen phosphate
SMILESCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C6H13O4P/c1-2-3-4-5-6-10-11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)/b6-5+
InChIKeyHINJDAVVKQXJLT-AATRIKPKSA-N
MW180.14 g/mol
LogP1.80
Rot. Bonds5

About [(E)-hex-1-enyl] dihydrogen phosphate

[(E)-hex-1-enyl] dihydrogen phosphate (PubChem CID 19800837) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is [(E)-hex-1-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-hex-1-enyl] dihydrogen phosphate
PubChem CID19800837
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name[(E)-hex-1-enyl] dihydrogen phosphate
SMILESCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C6H13O4P/c1-2-3-4-5-6-10-11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)/b6-5+
InChIKeyHINJDAVVKQXJLT-AATRIKPKSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.80
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

[(E)-non-1-enyl] dihydrogen phosphate
CID 19800808
ethoxyethane;[(E)-octadec-1-enyl] dihydrogen phosphate
CID 88647688
tris[(E)-hex-1-enyl] phosphate
CID 141190497
bis(hept-1-enyl) hydrogen phosphate
CID 54526218
bis(hept-1-enyl) hydrogen phosphate;bis(non-1-enyl) hydrogen phosphate;bis(oct-1-enyl) hydrogen phosphate
CID 160525345
tris(tetradec-1-enyl) phosphate
CID 139967616
tris[(E)-undec-1-enyl] phosphate
CID 88689408
[(E)-hexadec-1-enyl] [(E)-hexadec-2-enyl] hydrogen phosphate
CID 6436967
2-[bis(2-hydroxyethyl)amino]ethanol;bis(tetradec-1-enyl) hydrogen phosphate
CID 173390919
1-[hydroxy(nonadec-1-enoxy)phosphoryl]propyl-trimethylazanium
CID 91569615
diethyl hydrogen phosphate;non-4-ene
CID 175929703
1-[docos-1-enoxy(hydroxy)phosphoryl]butyl-trimethylazanium
CID 90859391

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-1-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-hex-1-enyl] dihydrogen phosphate (CID 19800837) is [(E)-hex-1-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-hex-1-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-hex-1-enyl] dihydrogen phosphate is CCCC/C=C/OP(=O)(O)O.
What is the InChIKey of [(E)-hex-1-enyl] dihydrogen phosphate?
The InChIKey is HINJDAVVKQXJLT-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13O4P/c1-2-3-4-5-6-10-11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)/b6-5+.
What are the key properties of [(E)-hex-1-enyl] dihydrogen phosphate?
[(E)-hex-1-enyl] dihydrogen phosphate has a molecular weight of 180.14 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-1-enyl] dihydrogen phosphate is sourced from PubChem (CID 19800837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).