9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate

C24H43O8P — CID 138489892

IUPAC9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCOP(=O)(O)OCCCCCCCCCOC(=O)C=C
InChIInChI=1S/C24H43O8P/c1-3-23(25)29-19-15-11-7-5-9-13-17-21-31-33(27,28)32-22-18-14-10-6-8-12-16-20-30-24(26)4-2/h3-4H,1-2,5-22H2,(H,27,28)
InChIKeyBGXVTHQITQMTDK-UHFFFAOYSA-N
MW490.57 g/mol
LogP6.04
Rot. Bonds24

About 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate

9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate (PubChem CID 138489892) has the molecular formula C24H43O8P and a molecular weight of 490.57 g/mol. Its IUPAC name is 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate.

Molecular Properties

Compound Name9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate
PubChem CID138489892
Molecular FormulaC24H43O8P
Molecular Weight490.57 g/mol
Exact Mass490.27
IUPAC Name9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCOP(=O)(O)OCCCCCCCCCOC(=O)C=C
InChIInChI=1S/C24H43O8P/c1-3-23(25)29-19-15-11-7-5-9-13-17-21-31-33(27,28)32-22-18-14-10-6-8-12-16-20-30-24(26)4-2/h3-4H,1-2,5-22H2,(H,27,28)
InChIKeyBGXVTHQITQMTDK-UHFFFAOYSA-N
XLogP6.04
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate
CID 140975270
2-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxyethyl-trimethylazanium
CID 87337635
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
sodium;phosphoric acid;4-prop-2-enoyloxybutan-1-olate
CID 157078576
10-hydroxydecyl prop-2-enoate
CID 14715958
4-methoxybutyl prop-2-enoate
CID 22321356
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
hexadecyl(4-prop-2-enoyloxybutyl)phosphinic acid
CID 139843854
octyl(6-prop-2-enoyloxyhexyl)phosphinic acid
CID 139843819

Frequently Asked Questions

What is the IUPAC name of 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate?
The IUPAC name of 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate (CID 138489892) is 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate.
What is the SMILES notation for 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate?
The canonical SMILES for 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate is C=CC(=O)OCCCCCCCCCOP(=O)(O)OCCCCCCCCCOC(=O)C=C.
What is the InChIKey of 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate?
The InChIKey is BGXVTHQITQMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43O8P/c1-3-23(25)29-19-15-11-7-5-9-13-17-21-31-33(27,28)32-22-18-14-10-6-8-12-16-20-30-24(26)4-2/h3-4H,1-2,5-22H2,(H,27,28).
What are the key properties of 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate?
9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate has a molecular weight of 490.57 g/mol, XLogP of 6.04, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate is sourced from PubChem (CID 138489892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).