CID 173031450

C20H35F2SiZr — CID 173031450

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.C[SiH]C.F.F.[Zr+2]
InChIInChI=1S/2C9H13.C2H7Si.2FH.Zr/c2*1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2*6H,1-4H3;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyCXKNBAWIAPYVLY-UHFFFAOYSA-N
MW432.81 g/mol
LogP6.27
Rot. Bonds

About CID 173031450

CID 173031450 (PubChem CID 173031450) has the molecular formula C20H35F2SiZr and a molecular weight of 432.81 g/mol.

Molecular Properties

Compound NameCID 173031450
PubChem CID173031450
Molecular FormulaC20H35F2SiZr
Molecular Weight432.81 g/mol
Exact Mass431.15
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.C[SiH]C.F.F.[Zr+2]
InChIInChI=1S/2C9H13.C2H7Si.2FH.Zr/c2*1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2*6H,1-4H3;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyCXKNBAWIAPYVLY-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.81
LogP ≤ 56.27
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

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CID 173069398
neodymium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
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CID 175042659
CID 175042659
ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
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methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 19351721
CID 173149692
CID 173149692
CID 173198594
CID 173198594
carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)
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CID 174442586
CID 174442586

Frequently Asked Questions

What is the IUPAC name of CID 173031450?
The IUPAC name of CID 173031450 (CID 173031450) is not available.
What is the SMILES notation for CID 173031450?
The canonical SMILES for CID 173031450 is CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.C[SiH]C.F.F.[Zr+2].
What is the InChIKey of CID 173031450?
The InChIKey is CXKNBAWIAPYVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.C2H7Si.2FH.Zr/c2*1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2*6H,1-4H3;3H,1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of CID 173031450?
CID 173031450 has a molecular weight of 432.81 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173031450 is sourced from PubChem (CID 173031450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).