CID 154723511

C26H42Si2Zr — CID 154723511

IUPAC—
SMILESCCCC(=[C-]\[Si](C)(C)C)/C(=[C-]/[Si](C)(C)C)CCC.[CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2]
InChIInChI=1S/C16H32Si2.2C5H5.Zr/c1-9-11-15(13-17(3,4)5)16(12-10-2)14-18(6,7)8;2*1-2-4-5-3-1;/h9-12H2,1-8H3;2*1-5H;/q-2;;;+2
InChIKeyNMPLFODNGHMARO-UHFFFAOYSA-N
MW502.02 g/mol
LogP8.43
Rot. Bonds7

About CID 154723511

CID 154723511 (PubChem CID 154723511) has the molecular formula C26H42Si2Zr and a molecular weight of 502.02 g/mol.

Molecular Properties

Compound NameCID 154723511
PubChem CID154723511
Molecular FormulaC26H42Si2Zr
Molecular Weight502.02 g/mol
Exact Mass500.19
IUPAC Name—
SMILESCCCC(=[C-]\[Si](C)(C)C)/C(=[C-]/[Si](C)(C)C)CCC.[CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2]
InChIInChI=1S/C16H32Si2.2C5H5.Zr/c1-9-11-15(13-17(3,4)5)16(12-10-2)14-18(6,7)8;2*1-2-4-5-3-1;/h9-12H2,1-8H3;2*1-5H;/q-2;;;+2
InChIKeyNMPLFODNGHMARO-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.02
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154723511?
The IUPAC name of CID 154723511 (CID 154723511) is not available.
What is the SMILES notation for CID 154723511?
The canonical SMILES for CID 154723511 is CCCC(=[C-]\[Si](C)(C)C)/C(=[C-]/[Si](C)(C)C)CCC.[CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2].
What is the InChIKey of CID 154723511?
The InChIKey is NMPLFODNGHMARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32Si2.2C5H5.Zr/c1-9-11-15(13-17(3,4)5)16(12-10-2)14-18(6,7)8;2*1-2-4-5-3-1;/h9-12H2,1-8H3;2*1-5H;/q-2;;;+2.
What are the key properties of CID 154723511?
CID 154723511 has a molecular weight of 502.02 g/mol, XLogP of 8.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154723511 is sourced from PubChem (CID 154723511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).