[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate

C32H59O6P — CID 10057255

IUPAC[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
SMILESCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C32H59O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)37-39(35,36)38-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-30H2,1-2H3,(H,35,36)/b15-13-,16-14-
InChIKeyDBUBDEDDIPDTBZ-VMNXYWKNSA-N
MW570.79 g/mol
LogP10.69
Rot. Bonds28

About [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate

[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate (PubChem CID 10057255) has the molecular formula C32H59O6P and a molecular weight of 570.79 g/mol. Its IUPAC name is [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate.

Molecular Properties

Compound Name[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
PubChem CID10057255
Molecular FormulaC32H59O6P
Molecular Weight570.79 g/mol
Exact Mass570.40
IUPAC Name[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
SMILESCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C32H59O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)37-39(35,36)38-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-30H2,1-2H3,(H,35,36)/b15-13-,16-14-
InChIKeyDBUBDEDDIPDTBZ-VMNXYWKNSA-N
XLogP10.69
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.79
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate with MolForge

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Related Compounds

phosphono docos-13-enoate
CID 173153244
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
neodymium;phosphono (Z)-octadec-9-enoate
CID 175084367
[hydroxy(phenoxy)phosphoryl] octadec-9-enoate
CID 67107887
[hydroxy(methoxy)phosphoryl] octadecanoate
CID 172713209
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
[hydroxy(phosphonooxy)phosphoryl] octadecanoate
CID 175419866
[[(Z)-octadec-9-enoyl]oxy-[tris(methylamino)methyl]phosphoryl] (Z)-octadec-9-enoate
CID 87580474
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (Z)-dotriacont-15-enoate
CID 100966062

Frequently Asked Questions

What is the IUPAC name of [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate?
The IUPAC name of [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate (CID 10057255) is [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate.
What is the SMILES notation for [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate?
The canonical SMILES for [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate is CCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)OC(=O)CCCCCCC/C=C\CCCCCC.
What is the InChIKey of [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate?
The InChIKey is DBUBDEDDIPDTBZ-VMNXYWKNSA-N. The full InChI is InChI=1S/C32H59O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)37-39(35,36)38-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-30H2,1-2H3,(H,35,36)/b15-13-,16-14-.
What are the key properties of [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate?
[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate has a molecular weight of 570.79 g/mol, XLogP of 10.69, 28 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate is sourced from PubChem (CID 10057255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).