1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete

C12H18Cl2Si — CID 54071277

IUPAC1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete
SMILESCCC1C(C2=CCCCC2)=C(C)[Si]1(Cl)Cl
InChIInChI=1S/C12H18Cl2Si/c1-3-11-12(9(2)15(11,13)14)10-7-5-4-6-8-10/h7,11H,3-6,8H2,1-2H3
InChIKeyMGPVRDNSAYIHMQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP5.06
Rot. Bonds2

About 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete

1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete (PubChem CID 54071277) has the molecular formula C12H18Cl2Si and a molecular weight of 261.27 g/mol. Its IUPAC name is 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete.

Molecular Properties

Compound Name1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete
PubChem CID54071277
Molecular FormulaC12H18Cl2Si
Molecular Weight261.27 g/mol
Exact Mass260.06
IUPAC Name1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete
SMILESCCC1C(C2=CCCCC2)=C(C)[Si]1(Cl)Cl
InChIInChI=1S/C12H18Cl2Si/c1-3-11-12(9(2)15(11,13)14)10-7-5-4-6-8-10/h7,11H,3-6,8H2,1-2H3
InChIKeyMGPVRDNSAYIHMQ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.27
LogP ≤ 55.06
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 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete?
The IUPAC name of 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete (CID 54071277) is 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete.
What is the SMILES notation for 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete?
The canonical SMILES for 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete is CCC1C(C2=CCCCC2)=C(C)[Si]1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete?
The InChIKey is MGPVRDNSAYIHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2Si/c1-3-11-12(9(2)15(11,13)14)10-7-5-4-6-8-10/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete?
1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete has a molecular weight of 261.27 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-(cyclohexen-1-yl)-2-ethyl-4-methyl-2H-silete is sourced from PubChem (CID 54071277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).