chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury

C8H15ClHg — CID 134981739

IUPACchloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury
SMILESCC/C(=C\C(C)(C)C)[Hg]Cl
InChIInChI=1S/C8H15.ClH.Hg/c1-5-6-7-8(2,3)4;;/h7H,5H2,1-4H3;1H;/q;;+1/p-1
InChIKeyJWBZPCRRDYUQCT-UHFFFAOYSA-M
MW347.25 g/mol
LogP3.56
Rot. Bonds2

About chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury

chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury (PubChem CID 134981739) has the molecular formula C8H15ClHg and a molecular weight of 347.25 g/mol. Its IUPAC name is chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury.

Molecular Properties

Compound Namechloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury
PubChem CID134981739
Molecular FormulaC8H15ClHg
Molecular Weight347.25 g/mol
Exact Mass348.06
IUPAC Namechloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury
SMILESCC/C(=C\C(C)(C)C)[Hg]Cl
InChIInChI=1S/C8H15.ClH.Hg/c1-5-6-7-8(2,3)4;;/h7H,5H2,1-4H3;1H;/q;;+1/p-1
InChIKeyJWBZPCRRDYUQCT-UHFFFAOYSA-M
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,2-dimethylhex-3-ene
CID 71390179
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
2-chloro-2-methylbutane;methanol
CID 88619841
ethyl (Z)-2-chloro-4,4-dimethylpent-2-enoate
CID 145266780
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene
CID 173041848
(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine
CID 147216675
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene
CID 91222189
lithium (E)-1-methoxy-3,3-dimethylbut-1-en-1-olate
CID 23691907

Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury?
The IUPAC name of chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury (CID 134981739) is chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury.
What is the SMILES notation for chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury?
The canonical SMILES for chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury is CC/C(=C\C(C)(C)C)[Hg]Cl.
What is the InChIKey of chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury?
The InChIKey is JWBZPCRRDYUQCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15.ClH.Hg/c1-5-6-7-8(2,3)4;;/h7H,5H2,1-4H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury?
chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury has a molecular weight of 347.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury is sourced from PubChem (CID 134981739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).