CID 6389183

C20H30Cl2HgSi — CID 6389183

IUPAC—
SMILESCC1=C(C)C(C)([Si](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.Cl[Hg]
InChIInChI=1S/C20H30ClSi.ClH.Hg/c1-11-12(2)16(6)19(9,15(11)5)22(21)20(10)17(7)13(3)14(4)18(20)8;;/h1-10H3;1H;/q;;+1/p-1
InChIKeyKHNGQQFQXJJIPK-UHFFFAOYSA-M
MW570.04 g/mol
LogP7.80
Rot. Bonds2

About CID 6389183

CID 6389183 (PubChem CID 6389183) has the molecular formula C20H30Cl2HgSi and a molecular weight of 570.04 g/mol.

Molecular Properties

Compound NameCID 6389183
PubChem CID6389183
Molecular FormulaC20H30Cl2HgSi
Molecular Weight570.04 g/mol
Exact Mass570.12
IUPAC Name—
SMILESCC1=C(C)C(C)([Si](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.Cl[Hg]
InChIInChI=1S/C20H30ClSi.ClH.Hg/c1-11-12(2)16(6)19(9,15(11)5)22(21)20(10)17(7)13(3)14(4)18(20)8;;/h1-10H3;1H;/q;;+1/p-1
InChIKeyKHNGQQFQXJJIPK-UHFFFAOYSA-M
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.04
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6389183?
The IUPAC name of CID 6389183 (CID 6389183) is not available.
What is the SMILES notation for CID 6389183?
The canonical SMILES for CID 6389183 is CC1=C(C)C(C)([Si](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.Cl[Hg].
What is the InChIKey of CID 6389183?
The InChIKey is KHNGQQFQXJJIPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H30ClSi.ClH.Hg/c1-11-12(2)16(6)19(9,15(11)5)22(21)20(10)17(7)13(3)14(4)18(20)8;;/h1-10H3;1H;/q;;+1/p-1.
What are the key properties of CID 6389183?
CID 6389183 has a molecular weight of 570.04 g/mol, XLogP of 7.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6389183 is sourced from PubChem (CID 6389183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).