CID 173193882

C36H52Cl2SiZr — CID 173193882

IUPAC—
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C17H23.C2H6Si.2ClH.Zr/c2*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;1-3-2;;;/h2*9-12H,4-8H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyITCMZXYJOYMCOU-UHFFFAOYSA-L
MW675.03 g/mol
LogP12.76
Rot. Bonds10

About CID 173193882

CID 173193882 (PubChem CID 173193882) has the molecular formula C36H52Cl2SiZr and a molecular weight of 675.03 g/mol.

Molecular Properties

Compound NameCID 173193882
PubChem CID173193882
Molecular FormulaC36H52Cl2SiZr
Molecular Weight675.03 g/mol
Exact Mass672.23
IUPAC Name—
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C17H23.C2H6Si.2ClH.Zr/c2*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;1-3-2;;;/h2*9-12H,4-8H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyITCMZXYJOYMCOU-UHFFFAOYSA-L
XLogP12.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.03
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of CID 173193882?
The IUPAC name of CID 173193882 (CID 173193882) is not available.
What is the SMILES notation for CID 173193882?
The canonical SMILES for CID 173193882 is CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173193882?
The InChIKey is ITCMZXYJOYMCOU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H23.C2H6Si.2ClH.Zr/c2*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;1-3-2;;;/h2*9-12H,4-8H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173193882?
CID 173193882 has a molecular weight of 675.03 g/mol, XLogP of 12.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173193882 is sourced from PubChem (CID 173193882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).