5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane

C21H30Si — CID 12740719

IUPAC5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane
SMILESCC[Si](C=C=C=C=C=C1C2CC3CC(C2)CC1C3)(CC)CC
InChIInChI=1S/C21H30Si/c1-4-22(5-2,6-3)11-9-7-8-10-21-19-13-17-12-18(15-19)16-20(21)14-17/h11,17-20H,4-6,12-16H2,1-3H3
InChIKeyXCCGPVRLXZELID-UHFFFAOYSA-N
MW310.56 g/mol
LogP6.04
Rot. Bonds4

About 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane

5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane (PubChem CID 12740719) has the molecular formula C21H30Si and a molecular weight of 310.56 g/mol. Its IUPAC name is 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane.

Molecular Properties

Compound Name5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane
PubChem CID12740719
Molecular FormulaC21H30Si
Molecular Weight310.56 g/mol
Exact Mass310.21
IUPAC Name5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane
SMILESCC[Si](C=C=C=C=C=C1C2CC3CC(C2)CC1C3)(CC)CC
InChIInChI=1S/C21H30Si/c1-4-22(5-2,6-3)11-9-7-8-10-21-19-13-17-12-18(15-19)16-20(21)14-17/h11,17-20H,4-6,12-16H2,1-3H3
InChIKeyXCCGPVRLXZELID-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.56
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane?
The IUPAC name of 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane (CID 12740719) is 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane.
What is the SMILES notation for 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane?
The canonical SMILES for 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane is CC[Si](C=C=C=C=C=C1C2CC3CC(C2)CC1C3)(CC)CC.
What is the InChIKey of 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane?
The InChIKey is XCCGPVRLXZELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Si/c1-4-22(5-2,6-3)11-9-7-8-10-21-19-13-17-12-18(15-19)16-20(21)14-17/h11,17-20H,4-6,12-16H2,1-3H3.
What are the key properties of 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane?
5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane has a molecular weight of 310.56 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane is sourced from PubChem (CID 12740719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).