CID 173338282

C16H25Cl2HfSi — CID 173338282

IUPAC—
SMILESCC1=CC[C-]=C1.CC1=CC[C-]=C1.CC[SiH]CC.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C6H7.C4H11Si.2ClH.Hf/c2*1-6-4-2-3-5-6;1-3-5-4-2;;;/h2*4-5H,2H2,1H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZGXGLCNKOPJLBR-UHFFFAOYSA-L
MW494.86 g/mol
LogP-1.30
Rot. Bonds2

About CID 173338282

CID 173338282 (PubChem CID 173338282) has the molecular formula C16H25Cl2HfSi and a molecular weight of 494.86 g/mol.

Molecular Properties

Compound NameCID 173338282
PubChem CID173338282
Molecular FormulaC16H25Cl2HfSi
Molecular Weight494.86 g/mol
Exact Mass495.06
IUPAC Name—
SMILESCC1=CC[C-]=C1.CC1=CC[C-]=C1.CC[SiH]CC.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C6H7.C4H11Si.2ClH.Hf/c2*1-6-4-2-3-5-6;1-3-5-4-2;;;/h2*4-5H,2H2,1H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZGXGLCNKOPJLBR-UHFFFAOYSA-L
XLogP-1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.86
LogP ≤ 5-1.30
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 173338282?
The IUPAC name of CID 173338282 (CID 173338282) is not available.
What is the SMILES notation for CID 173338282?
The canonical SMILES for CID 173338282 is CC1=CC[C-]=C1.CC1=CC[C-]=C1.CC[SiH]CC.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173338282?
The InChIKey is ZGXGLCNKOPJLBR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.C4H11Si.2ClH.Hf/c2*1-6-4-2-3-5-6;1-3-5-4-2;;;/h2*4-5H,2H2,1H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173338282?
CID 173338282 has a molecular weight of 494.86 g/mol, XLogP of -1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173338282 is sourced from PubChem (CID 173338282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).