chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury

C12H24ClHgO4P — CID 12541702

IUPACchloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury
SMILESCO/C(=C(/[Hg]Cl)C(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H24O4P.ClH.Hg/c1-9(2)8-12(14-7)17(13,15-10(3)4)16-11(5)6;;/h9-11H,1-7H3;1H;/q;;+1/p-1
InChIKeyYNJOAPRLRPKLDZ-UHFFFAOYSA-M
MW499.34 g/mol
LogP4.74
Rot. Bonds8

About chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury

chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury (PubChem CID 12541702) has the molecular formula C12H24ClHgO4P and a molecular weight of 499.34 g/mol. Its IUPAC name is chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury.

Molecular Properties

Compound Namechloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury
PubChem CID12541702
Molecular FormulaC12H24ClHgO4P
Molecular Weight499.34 g/mol
Exact Mass500.08
IUPAC Namechloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury
SMILESCO/C(=C(/[Hg]Cl)C(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H24O4P.ClH.Hg/c1-9(2)8-12(14-7)17(13,15-10(3)4)16-11(5)6;;/h9-11H,1-7H3;1H;/q;;+1/p-1
InChIKeyYNJOAPRLRPKLDZ-UHFFFAOYSA-M
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.34
LogP ≤ 54.74
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-methoxy-3-methylbut-1-en-2-yl]mercury?
The IUPAC name of chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury (CID 12541702) is chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury.
What is the SMILES notation for chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury?
The canonical SMILES for chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury is CO/C(=C(/[Hg]Cl)C(C)C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury?
The InChIKey is YNJOAPRLRPKLDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O4P.ClH.Hg/c1-9(2)8-12(14-7)17(13,15-10(3)4)16-11(5)6;;/h9-11H,1-7H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury?
chloro-[(Z)-1-di(propan-2-yloxy)phosphoryl-1-methoxy-3-methylbut-1-en-2-yl]mercury has a molecular weight of 499.34 g/mol, XLogP of 4.74, 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-methoxy-3-methylbut-1-en-2-yl]mercury is sourced from PubChem (CID 12541702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).