azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide

C24H54Br4NO2P — CID 174920382

IUPACazane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide
SMILESBr.Br.Br.Br.CCCCCCCCCCCCc1c(OCC)ccc(C)c1C.CCP.N.O
InChIInChI=1S/C22H38O.C2H7P.4BrH.H3N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-21-20(4)19(3)17-18-22(21)23-6-2;1-2-3;;;;;;/h17-18H,5-16H2,1-4H3;2-3H2,1H3;4*1H;1H3;1H2
InChIKeyHIRKDKAZFALIPH-UHFFFAOYSA-N
MW739.29 g/mol
LogP9.70
Rot. Bonds13

About azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide

azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide (PubChem CID 174920382) has the molecular formula C24H54Br4NO2P and a molecular weight of 739.29 g/mol. Its IUPAC name is azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide.

Molecular Properties

Compound Nameazane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide
PubChem CID174920382
Molecular FormulaC24H54Br4NO2P
Molecular Weight739.29 g/mol
Exact Mass735.06
IUPAC Nameazane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide
SMILESBr.Br.Br.Br.CCCCCCCCCCCCc1c(OCC)ccc(C)c1C.CCP.N.O
InChIInChI=1S/C22H38O.C2H7P.4BrH.H3N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-21-20(4)19(3)17-18-22(21)23-6-2;1-2-3;;;;;;/h17-18H,5-16H2,1-4H3;2-3H2,1H3;4*1H;1H3;1H2
InChIKeyHIRKDKAZFALIPH-UHFFFAOYSA-N
XLogP9.70
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.29
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
1-bromo-3,4-dimethyl-2-octylbenzene
CID 174984936
azane;1-(chloromethyl)-3,4-dimethyl-2-octylbenzene
CID 66778817
azane;(3,4-dimethyl-2-octylphenyl)methanol
CID 67252247
1-(bromomethyl)-2-hexadecyl-3,4-dimethylbenzene
CID 70008844
2-hexyl-1,3-dimethoxy-4-methylbenzene
CID 524849
azane;3,4-dimethyl-2-nonylbenzenesulfonic acid
CID 173344660
6-ethoxy-2,3-dimethylphenol
CID 119015224
1-decyl-2-ethoxybenzene
CID 175243335
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
3-ethoxy-2-pentylphenol;toluene
CID 174953910

Frequently Asked Questions

What is the IUPAC name of azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide?
The IUPAC name of azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide (CID 174920382) is azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide.
What is the SMILES notation for azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide?
The canonical SMILES for azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide is Br.Br.Br.Br.CCCCCCCCCCCCc1c(OCC)ccc(C)c1C.CCP.N.O.
What is the InChIKey of azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide?
The InChIKey is HIRKDKAZFALIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O.C2H7P.4BrH.H3N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-21-20(4)19(3)17-18-22(21)23-6-2;1-2-3;;;;;;/h17-18H,5-16H2,1-4H3;2-3H2,1H3;4*1H;1H3;1H2.
What are the key properties of azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide?
azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide has a molecular weight of 739.29 g/mol, XLogP of 9.70, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide is sourced from PubChem (CID 174920382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).