CID 100996484

C19H32ClSi2Zr- — CID 100996484

IUPAC—
SMILESC[Si](C)(C)/C=C/C[Si](C)(C)C.[CH]1C=CC=C1.[CH]1C=CC=C1.[Cl-].[Zr]
InChIInChI=1S/C9H22Si2.2C5H5.ClH.Zr/c1-10(2,3)8-7-9-11(4,5)6;2*1-2-4-5-3-1;;/h7-8H,9H2,1-6H3;2*1-5H;1H;/p-1/b8-7+;;;;
InChIKeyXDOTXOJBHRPIRX-YZNHWISSSA-M
MW443.31 g/mol
LogP3.39
Rot. Bonds3

About CID 100996484

CID 100996484 (PubChem CID 100996484) has the molecular formula C19H32ClSi2Zr- and a molecular weight of 443.31 g/mol.

Molecular Properties

Compound NameCID 100996484
PubChem CID100996484
Molecular FormulaC19H32ClSi2Zr-
Molecular Weight443.31 g/mol
Exact Mass441.08
IUPAC Name—
SMILESC[Si](C)(C)/C=C/C[Si](C)(C)C.[CH]1C=CC=C1.[CH]1C=CC=C1.[Cl-].[Zr]
InChIInChI=1S/C9H22Si2.2C5H5.ClH.Zr/c1-10(2,3)8-7-9-11(4,5)6;2*1-2-4-5-3-1;;/h7-8H,9H2,1-6H3;2*1-5H;1H;/p-1/b8-7+;;;;
InChIKeyXDOTXOJBHRPIRX-YZNHWISSSA-M
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(Z)-4-trimethylsilylbut-2-enyl]silane
CID 10976510
trifluoro-[(E)-3-trimethylsilylprop-2-enyl]silane
CID 139667622
trimethyl-[(1E)-penta-1,4-dienyl]silane
CID 12533407
dimethyl(3-trimethylsilylprop-2-enyl)azanium chloride
CID 162513271
3-fluoroprop-2-enyl(trimethyl)silane
CID 139629045
trimethyl-[(E)-pent-2-enyl]silane
CID 5366396
CID 100996499
CID 100996499
dimethyl-pentyl-[(Z)-3-trimethylsilylprop-2-enyl]silane
CID 5366402
(E)-N-methyl-3-trimethylsilylprop-2-en-1-amine
CID 55299105
trimethyl-[(2E)-penta-2,4-dienyl]silane
CID 11040789
dimethyl-[(E)-3-trimethylsilylprop-2-enyl]sulfanium
CID 11107926
dimethyl-pent-1-enyl-phenylsilane
CID 154195285

Frequently Asked Questions

What is the IUPAC name of CID 100996484?
The IUPAC name of CID 100996484 (CID 100996484) is not available.
What is the SMILES notation for CID 100996484?
The canonical SMILES for CID 100996484 is C[Si](C)(C)/C=C/C[Si](C)(C)C.[CH]1C=CC=C1.[CH]1C=CC=C1.[Cl-].[Zr].
What is the InChIKey of CID 100996484?
The InChIKey is XDOTXOJBHRPIRX-YZNHWISSSA-M. The full InChI is InChI=1S/C9H22Si2.2C5H5.ClH.Zr/c1-10(2,3)8-7-9-11(4,5)6;2*1-2-4-5-3-1;;/h7-8H,9H2,1-6H3;2*1-5H;1H;/p-1/b8-7+;;;;.
What are the key properties of CID 100996484?
CID 100996484 has a molecular weight of 443.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100996484 is sourced from PubChem (CID 100996484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).