disodium;18-phenyloctadecoxy phosphate

C24H41Na2O5P — CID 175401662

IUPACdisodium;18-phenyloctadecoxy phosphate
SMILESO=P([O-])([O-])OOCCCCCCCCCCCCCCCCCCc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C24H43O5P.2Na/c25-30(26,27)29-28-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24;;/h15,17-18,21-22H,1-14,16,19-20,23H2,(H2,25,26,27);;/q;2*+1/p-2
InChIKeyXCQRPDAMPMOWNV-UHFFFAOYSA-L
MW486.54 g/mol
LogP0.26
Rot. Bonds21

About disodium;18-phenyloctadecoxy phosphate

disodium;18-phenyloctadecoxy phosphate (PubChem CID 175401662) has the molecular formula C24H41Na2O5P and a molecular weight of 486.54 g/mol. Its IUPAC name is disodium;18-phenyloctadecoxy phosphate.

Molecular Properties

Compound Namedisodium;18-phenyloctadecoxy phosphate
PubChem CID175401662
Molecular FormulaC24H41Na2O5P
Molecular Weight486.54 g/mol
Exact Mass486.25
IUPAC Namedisodium;18-phenyloctadecoxy phosphate
SMILESO=P([O-])([O-])OOCCCCCCCCCCCCCCCCCCc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C24H43O5P.2Na/c25-30(26,27)29-28-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24;;/h15,17-18,21-22H,1-14,16,19-20,23H2,(H2,25,26,27);;/q;2*+1/p-2
InChIKeyXCQRPDAMPMOWNV-UHFFFAOYSA-L
XLogP0.26
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

12-phenyldodecyl dihydrogen phosphate
CID 70388670
7-methoxyheptylbenzene
CID 54276867
8-(8-phenyloctoxy)octylbenzene
CID 56628536
4-phenylbutylbenzene
CID 141301927
18-phenyloctadecyl formate
CID 173425595
8-phenyloctyl carbamate
CID 67180735
4-phenylbutyl hypochlorite
CID 165357420
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
6-ethoxyhexylbenzene
CID 54300935
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
18-(4-iodophenyl)octadecoxy-methylphosphinate
CID 58185125

Frequently Asked Questions

What is the IUPAC name of disodium;18-phenyloctadecoxy phosphate?
The IUPAC name of disodium;18-phenyloctadecoxy phosphate (CID 175401662) is disodium;18-phenyloctadecoxy phosphate.
What is the SMILES notation for disodium;18-phenyloctadecoxy phosphate?
The canonical SMILES for disodium;18-phenyloctadecoxy phosphate is O=P([O-])([O-])OOCCCCCCCCCCCCCCCCCCc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;18-phenyloctadecoxy phosphate?
The InChIKey is XCQRPDAMPMOWNV-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H43O5P.2Na/c25-30(26,27)29-28-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24;;/h15,17-18,21-22H,1-14,16,19-20,23H2,(H2,25,26,27);;/q;2*+1/p-2.
What are the key properties of disodium;18-phenyloctadecoxy phosphate?
disodium;18-phenyloctadecoxy phosphate has a molecular weight of 486.54 g/mol, XLogP of 0.26, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;18-phenyloctadecoxy phosphate is sourced from PubChem (CID 175401662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).