didodecyl hydrogen phosphate;2-phenylguanidine

C31H60N3O4P — CID 160860640

IUPACdidodecyl hydrogen phosphate;2-phenylguanidine
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.NC(N)=Nc1ccccc1
InChIInChI=1S/C24H51O4P.C7H9N3/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;8-7(9)10-6-4-2-1-3-5-6/h3-24H2,1-2H3,(H,25,26);1-5H,(H4,8,9,10)
InChIKeySKKXDQQHTKDXKK-UHFFFAOYSA-N
MW569.81 g/mol
LogP9.55
Rot. Bonds25

About didodecyl hydrogen phosphate;2-phenylguanidine

didodecyl hydrogen phosphate;2-phenylguanidine (PubChem CID 160860640) has the molecular formula C31H60N3O4P and a molecular weight of 569.81 g/mol. Its IUPAC name is didodecyl hydrogen phosphate;2-phenylguanidine.

Molecular Properties

Compound Namedidodecyl hydrogen phosphate;2-phenylguanidine
PubChem CID160860640
Molecular FormulaC31H60N3O4P
Molecular Weight569.81 g/mol
Exact Mass569.43
IUPAC Namedidodecyl hydrogen phosphate;2-phenylguanidine
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.NC(N)=Nc1ccccc1
InChIInChI=1S/C24H51O4P.C7H9N3/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;8-7(9)10-6-4-2-1-3-5-6/h3-24H2,1-2H3,(H,25,26);1-5H,(H4,8,9,10)
InChIKeySKKXDQQHTKDXKK-UHFFFAOYSA-N
XLogP9.55
TPSA120.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.81
LogP ≤ 59.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[hexadecoxy(hydroxy)phosphoryl]oxybutyl benzoate
CID 101266594
azane;benzyl hexadecyl hydrogen phosphate
CID 174524131
hexyl phenyl hydrogen phosphate
CID 66863526
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
N-benzylhydroxylamine;dioctyl hydrogen phosphate
CID 159438550
didodecyl hydrogen phosphate;nickel
CID 87136164
decyl propyl hydrogen phosphate
CID 87587050
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312

Frequently Asked Questions

What is the IUPAC name of didodecyl hydrogen phosphate;2-phenylguanidine?
The IUPAC name of didodecyl hydrogen phosphate;2-phenylguanidine (CID 160860640) is didodecyl hydrogen phosphate;2-phenylguanidine.
What is the SMILES notation for didodecyl hydrogen phosphate;2-phenylguanidine?
The canonical SMILES for didodecyl hydrogen phosphate;2-phenylguanidine is CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.NC(N)=Nc1ccccc1.
What is the InChIKey of didodecyl hydrogen phosphate;2-phenylguanidine?
The InChIKey is SKKXDQQHTKDXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O4P.C7H9N3/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;8-7(9)10-6-4-2-1-3-5-6/h3-24H2,1-2H3,(H,25,26);1-5H,(H4,8,9,10).
What are the key properties of didodecyl hydrogen phosphate;2-phenylguanidine?
didodecyl hydrogen phosphate;2-phenylguanidine has a molecular weight of 569.81 g/mol, XLogP of 9.55, 25 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl hydrogen phosphate;2-phenylguanidine is sourced from PubChem (CID 160860640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).