CID 173097962

C19H29Cl2SiZr — CID 173097962

IUPAC—
SMILESC1=CCC2CC[CH-]C2=C1.CCCC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H11.C8H11.C2H7Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-5-8-6-3-4-7-8;1-3-2;;;/h1-2,4,6,9H,3,5,7H2;6-7H,2-3,5H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyLLCHWTKUNKQPGW-UHFFFAOYSA-L
MW447.66 g/mol
LogP-0.51
Rot. Bonds2

About CID 173097962

CID 173097962 (PubChem CID 173097962) has the molecular formula C19H29Cl2SiZr and a molecular weight of 447.66 g/mol.

Molecular Properties

Compound NameCID 173097962
PubChem CID173097962
Molecular FormulaC19H29Cl2SiZr
Molecular Weight447.66 g/mol
Exact Mass445.05
IUPAC Name—
SMILESC1=CCC2CC[CH-]C2=C1.CCCC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H11.C8H11.C2H7Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-5-8-6-3-4-7-8;1-3-2;;;/h1-2,4,6,9H,3,5,7H2;6-7H,2-3,5H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyLLCHWTKUNKQPGW-UHFFFAOYSA-L
XLogP-0.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.66
LogP ≤ 5-0.51
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 172999118

Frequently Asked Questions

What is the IUPAC name of CID 173097962?
The IUPAC name of CID 173097962 (CID 173097962) is not available.
What is the SMILES notation for CID 173097962?
The canonical SMILES for CID 173097962 is C1=CCC2CC[CH-]C2=C1.CCCC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173097962?
The InChIKey is LLCHWTKUNKQPGW-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11.C8H11.C2H7Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-5-8-6-3-4-7-8;1-3-2;;;/h1-2,4,6,9H,3,5,7H2;6-7H,2-3,5H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173097962?
CID 173097962 has a molecular weight of 447.66 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173097962 is sourced from PubChem (CID 173097962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).