CID 173216049

C14H21Cl2HfSi — CID 173216049

IUPAC—
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C6H7.C2H7Si.2ClH.Hf/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2,4H,3H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyPEQVOOSLDPGNPQ-UHFFFAOYSA-L
MW466.80 g/mol
LogP-2.08
Rot. Bonds

About CID 173216049

CID 173216049 (PubChem CID 173216049) has the molecular formula C14H21Cl2HfSi and a molecular weight of 466.80 g/mol.

Molecular Properties

Compound NameCID 173216049
PubChem CID173216049
Molecular FormulaC14H21Cl2HfSi
Molecular Weight466.80 g/mol
Exact Mass467.03
IUPAC Name—
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C6H7.C2H7Si.2ClH.Hf/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2,4H,3H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyPEQVOOSLDPGNPQ-UHFFFAOYSA-L
XLogP-2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.80
LogP ≤ 5-2.08
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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Related Compounds

CID 173115631
CID 173115631
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 174253848
chromium;2-methylcyclopenta-1,3-diene
CID 173304853
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
CID 173398279
CID 173398279
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
methane;bis(2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 22027318

Frequently Asked Questions

What is the IUPAC name of CID 173216049?
The IUPAC name of CID 173216049 (CID 173216049) is not available.
What is the SMILES notation for CID 173216049?
The canonical SMILES for CID 173216049 is CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173216049?
The InChIKey is PEQVOOSLDPGNPQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.C2H7Si.2ClH.Hf/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2,4H,3H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173216049?
CID 173216049 has a molecular weight of 466.80 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173216049 is sourced from PubChem (CID 173216049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).