1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol

C149H322O15P4-4 — CID 167566969

IUPAC1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCO.CCCCCCCCCCCCO.COC.COC.COC.COC.[CH2-]P(=O)(OCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCCCCCC)C(C)(C)C
InChIInChI=1S/C23H48O2P.C21H44O2P.C19H40O2P.C19H40.C17H36O2P.C16H34O.C14H30O.C12H26O.4C2H6O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26(5,24)23(2,3)4;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(5,22)21(2,3)4;1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(5,20)19(2,3)4;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-6-7-8-9-10-11-12-13-14-15-16-19-20(5,18)17(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13;4*1-3-2/h5-22H2,1-4H3;5-20H2,1-4H3;5-18H2,1-4H3;3-19H2,1-2H3;5-16H2,1-4H3;17H,2-16H2,1H3;15H,2-14H2,1H3;13H,2-12H2,1H3;4*1-2H3/q3*-1;;-1;;;;;;;
InChIKeyFKEZIQGIHOUIHE-UHFFFAOYSA-N
MW2478.10 g/mol
LogP54.60
Rot. Bonds112

About 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol

1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol (PubChem CID 167566969) has the molecular formula C149H322O15P4-4 and a molecular weight of 2478.10 g/mol. Its IUPAC name is 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol
PubChem CID167566969
Molecular FormulaC149H322O15P4-4
Molecular Weight2478.10 g/mol
Exact Mass2476.34
IUPAC Name1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCO.CCCCCCCCCCCCO.COC.COC.COC.COC.[CH2-]P(=O)(OCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCCCCCC)C(C)(C)C
InChIInChI=1S/C23H48O2P.C21H44O2P.C19H40O2P.C19H40.C17H36O2P.C16H34O.C14H30O.C12H26O.4C2H6O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26(5,24)23(2,3)4;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(5,22)21(2,3)4;1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(5,20)19(2,3)4;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-6-7-8-9-10-11-12-13-14-15-16-19-20(5,18)17(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13;4*1-3-2/h5-22H2,1-4H3;5-20H2,1-4H3;5-18H2,1-4H3;3-19H2,1-2H3;5-16H2,1-4H3;17H,2-16H2,1H3;15H,2-14H2,1H3;13H,2-12H2,1H3;4*1-2H3/q3*-1;;-1;;;;;;;
InChIKeyFKEZIQGIHOUIHE-UHFFFAOYSA-N
XLogP54.60
TPSA202.81 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds112
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.10
LogP ≤ 554.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol with MolForge

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Related Compounds

1-[tert-butyl(methanidyl)phosphoryl]oxydodecane
CID 148605328
butyl 4-hydroxybutyl methyl phosphate
CID 71322599
[hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate;bis(octan-1-ol);oxotitanium
CID 87708864
2-hydroxyethyl ditridecyl phosphate
CID 86141691
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
decyl 2-hydroxyethyl propyl phosphate
CID 151935129
heptadecan-1-ol;phosphoric acid
CID 174616506
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol?
The IUPAC name of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol (CID 167566969) is 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol.
What is the SMILES notation for 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol?
The canonical SMILES for 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol is CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCO.CCCCCCCCCCCCO.COC.COC.COC.COC.[CH2-]P(=O)(OCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCCCC)C(C)(C)C.[CH2-]P(=O)(OCCCCCCCCCCCCCCCCCC)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol?
The InChIKey is FKEZIQGIHOUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2P.C21H44O2P.C19H40O2P.C19H40.C17H36O2P.C16H34O.C14H30O.C12H26O.4C2H6O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26(5,24)23(2,3)4;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(5,22)21(2,3)4;1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(5,20)19(2,3)4;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-6-7-8-9-10-11-12-13-14-15-16-19-20(5,18)17(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13;4*1-3-2/h5-22H2,1-4H3;5-20H2,1-4H3;5-18H2,1-4H3;3-19H2,1-2H3;5-16H2,1-4H3;17H,2-16H2,1H3;15H,2-14H2,1H3;13H,2-12H2,1H3;4*1-2H3/q3*-1;;-1;;;;;;;.
What are the key properties of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol?
1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol has a molecular weight of 2478.10 g/mol, XLogP of 54.60, 112 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol is sourced from PubChem (CID 167566969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).