chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury

C11H22ClHgO4P — CID 23268239

IUPACchloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury
SMILESCC/C([Hg]Cl)=C(\OC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22O4P.ClH.Hg/c1-7-8-11(13-6)16(12,14-9(2)3)15-10(4)5;;/h9-10H,7H2,1-6H3;1H;/q;;+1/p-1
InChIKeyMZWQORHAIZRUKK-UHFFFAOYSA-M
MW485.31 g/mol
LogP4.49
Rot. Bonds8

About chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury

chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury (PubChem CID 23268239) has the molecular formula C11H22ClHgO4P and a molecular weight of 485.31 g/mol. Its IUPAC name is chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury.

Molecular Properties

Compound Namechloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury
PubChem CID23268239
Molecular FormulaC11H22ClHgO4P
Molecular Weight485.31 g/mol
Exact Mass486.07
IUPAC Namechloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury
SMILESCC/C([Hg]Cl)=C(\OC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22O4P.ClH.Hg/c1-7-8-11(13-6)16(12,14-9(2)3)15-10(4)5;;/h9-10H,7H2,1-6H3;1H;/q;;+1/p-1
InChIKeyMZWQORHAIZRUKK-UHFFFAOYSA-M
XLogP4.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury?
The IUPAC name of chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury (CID 23268239) is chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury.
What is the SMILES notation for chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury?
The canonical SMILES for chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury is CC/C([Hg]Cl)=C(\OC)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury?
The InChIKey is MZWQORHAIZRUKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22O4P.ClH.Hg/c1-7-8-11(13-6)16(12,14-9(2)3)15-10(4)5;;/h9-10H,7H2,1-6H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury?
chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury has a molecular weight of 485.31 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxybut-1-en-2-yl]mercury is sourced from PubChem (CID 23268239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).