dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride

C10H13Cl2Mg2O4P — CID 153434115

IUPACdimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride
SMILESCCCCOc1ccc(P(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C10H15O4P.2ClH.2Mg/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13;;;;/h4-7H,2-3,8H2,1H3,(H2,11,12,13);2*1H;;/q;;;2*+2/p-4
InChIKeyZRFCOZLKQJJBJK-UHFFFAOYSA-J
MW347.70 g/mol
LogP-6.35
Rot. Bonds5

About dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride

dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride (PubChem CID 153434115) has the molecular formula C10H13Cl2Mg2O4P and a molecular weight of 347.70 g/mol. Its IUPAC name is dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride.

Molecular Properties

Compound Namedimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride
PubChem CID153434115
Molecular FormulaC10H13Cl2Mg2O4P
Molecular Weight347.70 g/mol
Exact Mass345.96
IUPAC Namedimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride
SMILESCCCCOc1ccc(P(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C10H15O4P.2ClH.2Mg/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13;;;;/h4-7H,2-3,8H2,1H3,(H2,11,12,13);2*1H;;/q;;;2*+2/p-4
InChIKeyZRFCOZLKQJJBJK-UHFFFAOYSA-J
XLogP-6.35
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 5-6.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,4-dipentoxybenzene
CID 18314717
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
sodium bis[4-[4-(4-butoxyphenyl)hex-3-en-3-yl]phenyl] phosphate
CID 158307439
dodecyl 10-(4-formylphenoxy)decyl phosphate
CID 101477710
CID 57451037
CID 57451037
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
bromozinc(1+);butoxybenzene
CID 133144520
(4-dodecoxyphenoxy)-methylphosphinic acid
CID 139804509
1-butoxy-3-[(3-butoxyphenyl)-chlorophosphoryl]benzene
CID 20561902
1-butoxy-4-prop-2-ynylsulfonylbenzene
CID 82368851

Frequently Asked Questions

What is the IUPAC name of dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
The IUPAC name of dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride (CID 153434115) is dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride.
What is the SMILES notation for dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
The canonical SMILES for dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride is CCCCOc1ccc(P(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
The InChIKey is ZRFCOZLKQJJBJK-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H15O4P.2ClH.2Mg/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13;;;;/h4-7H,2-3,8H2,1H3,(H2,11,12,13);2*1H;;/q;;;2*+2/p-4.
What are the key properties of dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride has a molecular weight of 347.70 g/mol, XLogP of -6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride is sourced from PubChem (CID 153434115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).