azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene

C12H26N2O3P+ — CID 67894113

IUPACazane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene
SMILESC1CCC1.Cc1ccc(C)cc1.N.N.O=[P+](O)O
InChIInChI=1S/C8H10.C4H8.2H3N.HO3P/c1-7-3-5-8(2)6-4-7;1-2-4-3-1;;;1-4(2)3/h3-6H,1-2H3;1-4H2;2*1H3;(H-,1,2,3)/p+1
InChIKeyWWRHBMRQMJMYQO-UHFFFAOYSA-O
MW277.32 g/mol
LogP3.82
Rot. Bonds

About azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene

azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene (PubChem CID 67894113) has the molecular formula C12H26N2O3P+ and a molecular weight of 277.32 g/mol. Its IUPAC name is azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene.

Molecular Properties

Compound Nameazane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene
PubChem CID67894113
Molecular FormulaC12H26N2O3P+
Molecular Weight277.32 g/mol
Exact Mass277.17
IUPAC Nameazane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene
SMILESC1CCC1.Cc1ccc(C)cc1.N.N.O=[P+](O)O
InChIInChI=1S/C8H10.C4H8.2H3N.HO3P/c1-7-3-5-8(2)6-4-7;1-2-4-3-1;;;1-4(2)3/h3-6H,1-2H3;1-4H2;2*1H3;(H-,1,2,3)/p+1
InChIKeyWWRHBMRQMJMYQO-UHFFFAOYSA-O
XLogP3.82
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphinic acid, P-(4-methylphenyl)-
CID 6335377
P-(4-Methylphenyl)phosphonic acid
CID 101351
(1-Phenylvinyl)phosphonic acid
CID 76694
Phosphinic acid, P-(2-methylphenyl)-
CID 15049145
Phosphinic acid, P-(3-methylphenyl)-
CID 19796161
(4-Tetradecylphenyl)methylphosphonic acid
CID 127045639
4-Pentadecylbenzylphosphonic acid
CID 59054073
(4-Ethylphenyl)phosphonic acid
CID 279158
[(E)-2-(4-methylphenyl)ethenyl]phosphonic acid
CID 156019967
2-(4-Methylphenyl)ethylphosphonic acid
CID 17967656
(2-Ethenylphenyl)phosphonic acid
CID 15930821
Phosphonic acid, (3-methylphenyl)-
CID 3353434

Frequently Asked Questions

What is the IUPAC name of azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene?
The IUPAC name of azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene (CID 67894113) is azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene.
What is the SMILES notation for azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene?
The canonical SMILES for azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene is C1CCC1.Cc1ccc(C)cc1.N.N.O=[P+](O)O.
What is the InChIKey of azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene?
The InChIKey is WWRHBMRQMJMYQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10.C4H8.2H3N.HO3P/c1-7-3-5-8(2)6-4-7;1-2-4-3-1;;;1-4(2)3/h3-6H,1-2H3;1-4H2;2*1H3;(H-,1,2,3)/p+1.
What are the key properties of azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene?
azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene has a molecular weight of 277.32 g/mol, XLogP of 3.82, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene is sourced from PubChem (CID 67894113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).