chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury

C4H6Cl2HgO — CID 12541708

IUPACchloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury
SMILESCO/C(Cl)=C(/C)[Hg]Cl
InChIInChI=1S/C4H6ClO.ClH.Hg/c1-3-4(5)6-2;;/h1-2H3;1H;/q;;+1/p-1
InChIKeyOWCMPPTVKVCRAR-UHFFFAOYSA-M
MW341.59 g/mol
LogP2.30
Rot. Bonds2

About chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury

chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury (PubChem CID 12541708) has the molecular formula C4H6Cl2HgO and a molecular weight of 341.59 g/mol. Its IUPAC name is chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury.

Molecular Properties

Compound Namechloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury
PubChem CID12541708
Molecular FormulaC4H6Cl2HgO
Molecular Weight341.59 g/mol
Exact Mass341.95
IUPAC Namechloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury
SMILESCO/C(Cl)=C(/C)[Hg]Cl
InChIInChI=1S/C4H6ClO.ClH.Hg/c1-3-4(5)6-2;;/h1-2H3;1H;/q;;+1/p-1
InChIKeyOWCMPPTVKVCRAR-UHFFFAOYSA-M
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxypent-3-en-2-one
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azane;methyl carbonochloridate
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methyl acetate;ruthenium
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CID 87704486
CID 87704486
2-chloropropane;methyl acetate
CID 157293612
ethane;methyl 2-oxopropanoate
CID 142946473
methyl 2-oxopropanoate;hydrate
CID 172759960
3-methoxybut-2-enoyl chloride
CID 54557484
copper;methyl acetate
CID 174340034
methyl acetate;titanium
CID 87665287
argon;methyl acetate
CID 169424774
methane;methyl acetate
CID 158871569

Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury?
The IUPAC name of chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury (CID 12541708) is chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury.
What is the SMILES notation for chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury?
The canonical SMILES for chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury is CO/C(Cl)=C(/C)[Hg]Cl.
What is the InChIKey of chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury?
The InChIKey is OWCMPPTVKVCRAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6ClO.ClH.Hg/c1-3-4(5)6-2;;/h1-2H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury?
chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury has a molecular weight of 341.59 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-1-chloro-1-methoxyprop-1-en-2-yl]mercury is sourced from PubChem (CID 12541708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).