2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane

C28H32Ge — CID 86023740

IUPAC2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane
SMILESCC1=CCC(C(C)C[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32Ge/c1-23-18-20-25(21-19-23)24(2)22-29(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,24-25H,19-22H2,1-2H3
InChIKeyJPIMDVFGGVYAHN-UHFFFAOYSA-N
MW441.17 g/mol
LogP5.54
Rot. Bonds6

About 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane

2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane (PubChem CID 86023740) has the molecular formula C28H32Ge and a molecular weight of 441.17 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane
PubChem CID86023740
Molecular FormulaC28H32Ge
Molecular Weight441.17 g/mol
Exact Mass442.17
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane
SMILESCC1=CCC(C(C)C[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32Ge/c1-23-18-20-25(21-19-23)24(2)22-29(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,24-25H,19-22H2,1-2H3
InChIKeyJPIMDVFGGVYAHN-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.17
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane (CID 86023740) is 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane is CC1=CCC(C(C)C[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane?
The InChIKey is JPIMDVFGGVYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Ge/c1-23-18-20-25(21-19-23)24(2)22-29(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,24-25H,19-22H2,1-2H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane?
2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane has a molecular weight of 441.17 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane is sourced from PubChem (CID 86023740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).