CID 53471894

C18H38KO3P+ — CID 53471894

IUPAC—
SMILESCC(C)CCCCCCO[P+](=O)OCCCCCCC(C)C.[K]
InChIInChI=1S/C18H38O3P.K/c1-17(2)13-9-5-7-11-15-20-22(19)21-16-12-8-6-10-14-18(3)4;/h17-18H,5-16H2,1-4H3;/q+1;
InChIKeyOHRKLSQPNZQSRJ-UHFFFAOYSA-N
MW372.57 g/mol
LogP6.51
Rot. Bonds16

About CID 53471894

CID 53471894 (PubChem CID 53471894) has the molecular formula C18H38KO3P+ and a molecular weight of 372.57 g/mol.

Molecular Properties

Compound NameCID 53471894
PubChem CID53471894
Molecular FormulaC18H38KO3P+
Molecular Weight372.57 g/mol
Exact Mass372.22
IUPAC Name—
SMILESCC(C)CCCCCCO[P+](=O)OCCCCCCC(C)C.[K]
InChIInChI=1S/C18H38O3P.K/c1-17(2)13-9-5-7-11-15-20-22(19)21-16-12-8-6-10-14-18(3)4;/h17-18H,5-16H2,1-4H3;/q+1;
InChIKeyOHRKLSQPNZQSRJ-UHFFFAOYSA-N
XLogP6.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-methylpentoxy-oxo-propoxyphosphanium
CID 170366726
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
1-ethoxy-17-methyloctadecane
CID 91042875
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
5-methylhexoxy-oxo-phenylphosphanium
CID 175576882

Frequently Asked Questions

What is the IUPAC name of CID 53471894?
The IUPAC name of CID 53471894 (CID 53471894) is not available.
What is the SMILES notation for CID 53471894?
The canonical SMILES for CID 53471894 is CC(C)CCCCCCO[P+](=O)OCCCCCCC(C)C.[K].
What is the InChIKey of CID 53471894?
The InChIKey is OHRKLSQPNZQSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3P.K/c1-17(2)13-9-5-7-11-15-20-22(19)21-16-12-8-6-10-14-18(3)4;/h17-18H,5-16H2,1-4H3;/q+1;.
What are the key properties of CID 53471894?
CID 53471894 has a molecular weight of 372.57 g/mol, XLogP of 6.51, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53471894 is sourced from PubChem (CID 53471894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).