CID 173073018

C30H40Cl2SiZr — CID 173073018

IUPAC—
SMILESCCc1cccc2[cH-]c(C(C)C)cc12.CCc1cccc2[cH-]c(C(C)C)cc12.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C14H17.C2H6Si.2ClH.Zr/c2*1-4-11-6-5-7-12-8-13(10(2)3)9-14(11)12;1-3-2;;;/h2*5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyNOXQMXWZVHORFM-UHFFFAOYSA-L
MW590.87 g/mol
LogP10.65
Rot. Bonds4

About CID 173073018

CID 173073018 (PubChem CID 173073018) has the molecular formula C30H40Cl2SiZr and a molecular weight of 590.87 g/mol.

Molecular Properties

Compound NameCID 173073018
PubChem CID173073018
Molecular FormulaC30H40Cl2SiZr
Molecular Weight590.87 g/mol
Exact Mass588.13
IUPAC Name—
SMILESCCc1cccc2[cH-]c(C(C)C)cc12.CCc1cccc2[cH-]c(C(C)C)cc12.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C14H17.C2H6Si.2ClH.Zr/c2*1-4-11-6-5-7-12-8-13(10(2)3)9-14(11)12;1-3-2;;;/h2*5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyNOXQMXWZVHORFM-UHFFFAOYSA-L
XLogP10.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.87
LogP ≤ 510.65
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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Frequently Asked Questions

What is the IUPAC name of CID 173073018?
The IUPAC name of CID 173073018 (CID 173073018) is not available.
What is the SMILES notation for CID 173073018?
The canonical SMILES for CID 173073018 is CCc1cccc2[cH-]c(C(C)C)cc12.CCc1cccc2[cH-]c(C(C)C)cc12.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173073018?
The InChIKey is NOXQMXWZVHORFM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H17.C2H6Si.2ClH.Zr/c2*1-4-11-6-5-7-12-8-13(10(2)3)9-14(11)12;1-3-2;;;/h2*5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173073018?
CID 173073018 has a molecular weight of 590.87 g/mol, XLogP of 10.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173073018 is sourced from PubChem (CID 173073018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).