CID 57354140

C24H51AlO8P3+2 — CID 57354140

IUPAC—
SMILESCCCCCCCCO[P+](=O)OP(=O)(OCCCCCCCC)O[P+](=O)OCCCCCCCC.[Al]
InChIInChI=1S/C24H51O8P3.Al/c1-4-7-10-13-16-19-22-28-33(25)31-35(27,30-24-21-18-15-12-9-6-3)32-34(26)29-23-20-17-14-11-8-5-2;/h4-24H2,1-3H3;/q+2;
InChIKeyFDMBGKPLXBBMRA-UHFFFAOYSA-N
MW587.57 g/mol
LogP10.19
Rot. Bonds28

About CID 57354140

CID 57354140 (PubChem CID 57354140) has the molecular formula C24H51AlO8P3+2 and a molecular weight of 587.57 g/mol.

Molecular Properties

Compound NameCID 57354140
PubChem CID57354140
Molecular FormulaC24H51AlO8P3+2
Molecular Weight587.57 g/mol
Exact Mass587.26
IUPAC Name—
SMILESCCCCCCCCO[P+](=O)OP(=O)(OCCCCCCCC)O[P+](=O)OCCCCCCCC.[Al]
InChIInChI=1S/C24H51O8P3.Al/c1-4-7-10-13-16-19-22-28-33(25)31-35(27,30-24-21-18-15-12-9-6-3)32-34(26)29-23-20-17-14-11-8-5-2;/h4-24H2,1-3H3;/q+2;
InChIKeyFDMBGKPLXBBMRA-UHFFFAOYSA-N
XLogP10.19
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.57
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
diheptyl hexyl phosphate
CID 175578950
dodecoxy-octoxy-oxophosphanium
CID 154187352
dioctoxyphosphoryloxy-hydroxy-oxophosphanium
CID 102018743
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
diheptyl propyl phosphate
CID 22497721
dioctoxy(oxo)phosphanium;zinc
CID 175522796

Frequently Asked Questions

What is the IUPAC name of CID 57354140?
The IUPAC name of CID 57354140 (CID 57354140) is not available.
What is the SMILES notation for CID 57354140?
The canonical SMILES for CID 57354140 is CCCCCCCCO[P+](=O)OP(=O)(OCCCCCCCC)O[P+](=O)OCCCCCCCC.[Al].
What is the InChIKey of CID 57354140?
The InChIKey is FDMBGKPLXBBMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O8P3.Al/c1-4-7-10-13-16-19-22-28-33(25)31-35(27,30-24-21-18-15-12-9-6-3)32-34(26)29-23-20-17-14-11-8-5-2;/h4-24H2,1-3H3;/q+2;.
What are the key properties of CID 57354140?
CID 57354140 has a molecular weight of 587.57 g/mol, XLogP of 10.19, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57354140 is sourced from PubChem (CID 57354140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).