bis[(Z)-hex-3-enyl] hydrogen phosphate

C12H23O4P — CID 59642181

IUPACbis[(Z)-hex-3-enyl] hydrogen phosphate
SMILESCC/C=C\CCOP(=O)(O)OCC/C=C\CC
InChIInChI=1S/C12H23O4P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,13,14)/b7-5-,8-6-
InChIKeyIGOYFIIIJNSCTM-SFECMWDFSA-N
MW262.29 g/mol
LogP3.83
Rot. Bonds10

About bis[(Z)-hex-3-enyl] hydrogen phosphate

bis[(Z)-hex-3-enyl] hydrogen phosphate (PubChem CID 59642181) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is bis[(Z)-hex-3-enyl] hydrogen phosphate.

Molecular Properties

Compound Namebis[(Z)-hex-3-enyl] hydrogen phosphate
PubChem CID59642181
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Namebis[(Z)-hex-3-enyl] hydrogen phosphate
SMILESCC/C=C\CCOP(=O)(O)OCC/C=C\CC
InChIInChI=1S/C12H23O4P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,13,14)/b7-5-,8-6-
InChIKeyIGOYFIIIJNSCTM-SFECMWDFSA-N
XLogP3.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(Z)-hex-3-enyl] hydrogen phosphate?
The IUPAC name of bis[(Z)-hex-3-enyl] hydrogen phosphate (CID 59642181) is bis[(Z)-hex-3-enyl] hydrogen phosphate.
What is the SMILES notation for bis[(Z)-hex-3-enyl] hydrogen phosphate?
The canonical SMILES for bis[(Z)-hex-3-enyl] hydrogen phosphate is CC/C=C\CCOP(=O)(O)OCC/C=C\CC.
What is the InChIKey of bis[(Z)-hex-3-enyl] hydrogen phosphate?
The InChIKey is IGOYFIIIJNSCTM-SFECMWDFSA-N. The full InChI is InChI=1S/C12H23O4P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,13,14)/b7-5-,8-6-.
What are the key properties of bis[(Z)-hex-3-enyl] hydrogen phosphate?
bis[(Z)-hex-3-enyl] hydrogen phosphate has a molecular weight of 262.29 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-hex-3-enyl] hydrogen phosphate is sourced from PubChem (CID 59642181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).