5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate

C20H40NO4P — CID 24801551

IUPAC5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESC[N+](C)(C)CCOP(=O)([O-])OCCCCC=C1CCCCCCCCC1
InChIInChI=1S/C20H40NO4P/c1-21(2,3)17-19-25-26(22,23)24-18-13-9-12-16-20-14-10-7-5-4-6-8-11-15-20/h16H,4-15,17-19H2,1-3H3
InChIKeyKPRGVVATJNBTQX-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.82
Rot. Bonds10

About 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate

5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate (PubChem CID 24801551) has the molecular formula C20H40NO4P and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate.

Molecular Properties

Compound Name5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID24801551
Molecular FormulaC20H40NO4P
Molecular Weight389.52 g/mol
Exact Mass389.27
IUPAC Name5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESC[N+](C)(C)CCOP(=O)([O-])OCCCCC=C1CCCCCCCCC1
InChIInChI=1S/C20H40NO4P/c1-21(2,3)17-19-25-26(22,23)24-18-13-9-12-16-20-14-10-7-5-4-6-8-11-15-20/h16H,4-15,17-19H2,1-3H3
InChIKeyKPRGVVATJNBTQX-UHFFFAOYSA-N
XLogP4.82
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate 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

32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
[(Z)-icos-11-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922700
[(Z)-tetracos-15-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922751
4-cyclopentadecylbutyl 2-(trimethylazaniumyl)ethyl phosphate
CID 172801756
henicosyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24836767
3-octoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978239
3-decoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978552
18-(4-iodophenyl)octadecyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11570943
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
[(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 23730352
[(1R,2R)-2-[11-cyclohexylideneundecoxy(hydroxy)phosphoryl]oxycyclohexyl]-trimethylazanium
CID 24799106
decyl(trimethyl)azanium;dioctyl phosphate
CID 170436179

Frequently Asked Questions

What is the IUPAC name of 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate?
The IUPAC name of 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate (CID 24801551) is 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate.
What is the SMILES notation for 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate?
The canonical SMILES for 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate is C[N+](C)(C)CCOP(=O)([O-])OCCCCC=C1CCCCCCCCC1.
What is the InChIKey of 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate?
The InChIKey is KPRGVVATJNBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40NO4P/c1-21(2,3)17-19-25-26(22,23)24-18-13-9-12-16-20-14-10-7-5-4-6-8-11-15-20/h16H,4-15,17-19H2,1-3H3.
What are the key properties of 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate?
5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate has a molecular weight of 389.52 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate is sourced from PubChem (CID 24801551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).